chemistry scope note
Fund 4540
Jennifer Lee
December 17, 2003
Coverage
Chemistry looks at and manipulates “stuff”, or matter. It is the science that studies the
properties, composition and structure of materials. It also studies how changes in these
properties, compositions and structures can occur or be made to occur.
Traditionally, chemistry has several main branches: analytical chemistry, inorganic chemistry,
organic chemistry, physical chemistry, and sometimes, biochemistry. However, branches often
overlap, for example, in physical organic chemistry, or analytical biochemistry, etc.
Analytical chemistry
Characterizes, measures, and identifies the properties, compositions and structures of
substances, separates materials into their components. Qualitative analysis studies what
is in a substance, while quantitative analysis studies how much of a substance is
present. Analytical chemistry also develops instruments and chemical techniques to do
these tasks.
Instrumentation is an integral aspect of analytical chemistry. This includes spectroscopy
(a technique for studying composition, structure and bonding; types of spectroscopy
include: infrared [IR], and other parts of the electromagnetic spectrum, Raman, nuclear
magnetic resonance [nmr]), X-ray crystallography (a technique used to determine crystal
structures of molecules; data can be interpreted to give molecule shapes, arrangements
of atoms, molecules or ions in crystals, and sizes of atoms and ions), and
chromatography (a method for separating and identifying the chemicals in a mixture;
types of chromatography include: high-performance liquid chromatography (hplc), thinlayer chromatography (tlc) and gas-liquid chromatography (glc).)
Increasingly, chemometrics, or the use of mathematical, statistical and other logicbased methods to design or select measurement procedures, are also being used.
Analytical chemistry is used across all branches of chemistry.
Chemical analysis is a featured research area for graduate students in the Department.
Inorganic chemistry
Studies all elements except for carbon. Some definitions of inorganic chemistry make
exceptions, and may include carbon monoxide, carbon dioxide, tetrachloromethane
(CCl4) and the carbonates.
chemistry scope note
Organic chemistry
Studies carbon and its compounds.
A large part of this is looking at chemical reactions and chemical creation of carbon
compounds.
Applied, organic chemistry can be seen in many industries, for example, the
petrochemical, pharmaceutical, plastics and synthetic fibres industries.
Structure and Synthesis in organic chemistry are featured research areas for graduate
students in the Department.
Physical chemistry
Studies the physical properties of matter.
Physical properties can then be related to chemical structure and bonding.
Physical chemistry also studies the physical properties of chemical reactions, such as the
heat/energy involved in a reaction, or the speed of a reaction (thermodynamics,
kinetics), as well as reaction mechanisms, equilibria (a chemical state in which
concentrations of reactants and products remain constant with time), solution
behaviour, electrolysis (process of forcing current through a chemical cell to cause a
normally nonspontaneous reaction to occur), surface phenomena (phenomena
manifested at the surface between two phases; an example is the surface tension
between a liquid and gas; observations and measurements may include vapor pressure
or solubility; applications include air pollution, soaps, color and optical properties of
paints) and quantum chemistry (applying quantum theory to chemistry, which helps
predict molecule interaction and formation.)
Lastly, it develops models and theories to explain physical chemical behaviour. It spans
all branches of chemistry.
*Chemical Dynamics is a featured research area for graduate students in the
Department.
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chemistry scope note
Biochemistry
Studies chemical changes in living organisms.
This includes metabolism, respiration, reproduction, and enzyme catalyzed reactions.
The focus is on the molecules and reactions within the living system.
At the University of Calgary, Biochemistry is a division of the Department of Biology,
covered by fund 4539. However, Biological Chemistry, which studies biologically active
or important molecules, is a featured research area for graduate students in the
Department.
Teaching Focus
Undergraduate
Chemistry: major, minor, honours, BSc/BA combined degree with the Faculty of
Humanities & Social Sciences
Chemical Physics: honours with the Department of Physics and Astronomy, BSc/BA
combined degree with the Faculty of Humanities & Social Sciences
Applied Chemistry, co-op major, co-op honours, BSc/BA combined degree with the
Faculty of Humanities & Social Sciences
Environmental Science, Concentration in Chemistry (Collaborative Program, Faculties of
Science and Social Sciences)
Graduate
Chemistry, Applied Chemistry, MSc, PhD
Research Focus
Research strengths span 4 areas:
Experimental and Theoretical Inorganic Chemistry (there is a Canada
Research Chair in this area)
This area includes organometallic and inorganometallic chemistry, modeling of
molecular interactions in solution, catalysis, novel ring systems, inorganic
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chemistry scope note
photochemistry, electrophilic compound chemistry, polymerization and supra-molecular
chemistry (synthesizing large molecules.) Density Functional Theory or DFT is used
throughout this area to model, calculate, and estimate.
It simplifies how quantum mechanics is applied to chemical systems, and allows for the
computational analysis of structure and reaction.
Research in catalysis can be applied to the petrochemical and pharmaceutical industries,
where better catalysts can speed up processes or make them more efficient or
environmentally friendly (2.4 of the Plan.)
This includes the design of catalysts that can split water into hydrogen and oxygen, and
catalysts that can be used in petrochemical conversion, upgrading and cleaning (2.2 of
the Academic Plan.)
Learning to control catalysis will also result in controlling the molecular orientation of
products, which is valuable in the cosmetic, agrochemical and pharmaceutical
industries, and also includes catalysis to produce hydrogen as an alternative energy (2.3
of the Plan).
Inorganic photochemistry can be applied also to the environment, in oxidative waste
treatment. Supra-molecular chemistry builds frameworks that can act like sieves to
separate toxins from water (2.4 of the Plan) or detect carbon monoxide in air.
More detail on this research area, and its relevance to the Academic Plan, is found
below.
Organometallics
Synthesis, metal-sulfur chemistry and activation of organosulfur molecules by binding
to metals, using spectroscopy and X-ray crystallography.
Computational studies, dynamics of molecules chemisorbed onto a metal surface
(chemisorption is the activating force of catalysis, in which bonds are formed between
the metal and the liquid or gas that is in contact with it.)
Modeling of steric bulk and solvation effects (solvation is the bonding effect of solvent
molecules on the molecules that have been dissolved) in elementary reaction steps
(reactions whose rates can be derived from the number of molecules involved.)
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chemistry scope note
Modeling of molecular interactions in solution using Density Functional Theory and the
Conductor-Like Screening Model Method (COSMO)
Catalysis
“is triggering desirable chemical reactions without forceful means such as high
pressures or excessive heat.”
A catalytic process is characterized by a chain (also called catalytic cycle) of chemical
events (or elementary reaction steps) where the catalyst is consumed at the beginning of
the chain and regenerated at the end.
The department studies the catalytic processes of petrochemical, pharmaceutical,
biological or photonic importance, with the ultimate aim of designing better catalysts.
This area corresponds to 2.2 of the Academic Plan (Hydrocarbon recovery and
upgrading), and 2.4 (Energy and environmental systems and modeling) where catalysis
can be used in environmental cleanup.
Research includes:
Molecular orbital theory (a computational method) and modeling: used
extensively in studies of catalytic processes and reactive intermediates
(chemicals that are formed, then consumed in the course of a reaction.)
Computers allow modeling and monitoring of complex chemical systems, in a
field known as computational quantum chemistry. The information can be used
to propose, develop, and test new catalysts using computer simulation.
The Density Functional Theory method is used in quantum mechanical
calculations because it works well for molecules with metal atoms; metal atoms
are present in many catalysts. New DFT methods are also being developed that
will provide more accurate estimates of molecular properties (structures,
energies, chemical shifts etc.)
Understanding molecular energetics and kinetics in homogenous catalysis.
The catalytic properties of metal complexes on a surface, and the elementary
reaction steps involved in the catalytic cycles.
Preparing and characterizing new catalytic materials. Spectroscopic techniques
(IR, X-ray diffraction, NMR) and procedures to characterize the structure of the
catalysts (porosity, oxidation states of additives, adsorptive characteristics, etc.)
are combined with reactivity studies to learn more about the catalyst surfaces,
the active sites they contain, and the processes which occur over them. The
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chemistry scope note
purpose is to provide detailed knowledge which will permit improved catalysts
(stable materials, with enhanced activity and/or resistance to poisoning) to be
produced. Research projects currently underway involve the synthesis,
characterization and testing of metal-oxide-based catalysts. Since such
materials are widely used in industry, this project has potentially valuable
industrial applications.
These concepts are applied when looking at 4 types of catalysis:
Polymerization Catalysis: olefin homo-polymerization [P-24] by coordination
complexes (making chains of double-bonded same-type carbons using
molecules that are positively or negatively charged metal ions combined with
oppositely charged counter-ions), co-polymerization between polar and nonpolar monomers (making long chains of different building blocks).
Research will be extended from alkenes (double-bonded carbons) to other
organic and inorganic monomers, including transition metal complexes, and
from coordination polymerization to ring-opening, radical and cationic
polymerization (specific types of polymerization), where transition metal centers
also play a prominent role.
Enantioselective Catalysis, in which the product has a single physical orientation:
the enantioselective hydroxylation (addition of the hydroxyl group, –OH),
cyclopropanation (addition of cyclopropane, a triangular C3H6 molecule),
hydrogenation (addition of hydrogen), hydroboration (reaction with B2H6), and
hydrosilation (addition of SiH) of alkenes.
There are applications in the cosmetic, agrochemical and pharmaceutical
industries, where orientation is important in biological activity.
Bio-inspired Catalysis: oxidation (addition of oxygen) and carbonylation
(addition of a carbonyl group, =C=O) of alkanes (chains of single-bonded
carbons, i.e. C-C), especially methane, alcohols and aldehydes (organic
compounds with the group CH=O) by metalloenzymes (enzymes containing a
metal ion at its active site); how metalloenzymes convert dinitrogen into
ammonia, and water into oxygen and hydrogen; design of catalysts that can split
water into hydrogen and oxygen.
This maps to section 2.3 of the Academic Plan (Alternative energy) where
hydrogen is mentioned as an alternative fuel.
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chemistry scope note
Heterogeneous Catalysis, in which the catalysts are dispersed on 2D surfaces or
in porous 3-D solids (such as Zeolites – natural or processed hydrated silicates
that can be used for water softening, detergent builders or cracking catalysts.)
Heterogeneous catalysts are used extensively in petrochemical conversion,
upgrading and cleaning processes
2.2 Of the Plan, Hydrocarbon recovery and upgrading.
Synthesis and coordination chemistry
of novel ring systems composed of combinations of main group elements, especially
nitrogen (N), phosphorus (P), sulfur (S), selenium (Se).
Evaluating the potential of these compounds as precursors for polymers with unusual
electronic, optical or magnetic properties. Structural investigations of new compounds
using 14N, 15N, 31P and 77Se NMR (nuclear magnetic resonance using forms of
nitrogen, phosphorous, or selenium that have a different number of neutrons), Infrared
and Raman spectroscopy, and X-ray crystallography.
Inorganic photochemistry:
Photochemistry studies the effect of light in chemical reactions.
Examples are photosynthesis, photosensitization of solids, such as in photography (film,
photographic paper), and fluorescence.
The department is interested in studying what happens in the femtosecond to
picoseconds after a photon-molecule interaction in metal complexes. Applications are in
photocatalysis (using light of a certain frequency to catalyse a reaction), particularly
oxidative waste treatment.
Contaminant (metal ions, pesticides) binding by naturally occurring ligands (humic
substances, hydrous oxide colloids; ligands are the molecules, ions or atoms attached to
the central atom of a coordination compound.)
The approach tries to integrate the work into a dynamic system view of soil-water and
sediment-water environments.
This relates to 2.4 of the Plan Energy and environmental systems and modelin) as it
feeds into environmental design and sustainability and water management.
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chemistry scope note
Chemistry and applications of electron deficient or ‘electrophilic’ compounds
In particular those of the early transition elements (transition elements are elements 21
through 29 [scandium through copper], 39 through 47 [yttbrium through silver], 57
through 79 [lanthanum through gold], and all known elements from 89 [actinium]
onwards; they all are metals that can act as catalysts, form compounds in >1 oxidation
state, and form a variety of complex ions), and group 13 elements (boron, aluminum,
gallium, indium, thallium.)
Inorganometallic Chemistry:
The chemistry and use of compounds with transition metal to heavy main group element
bonds as precursors to advanced materials. Group 3 and 4 complexes of tin, selenium
and tellurium based ligands and their application to organic and inorganic synthesis.
Ziegler-Natta Olefin Polymerization
Early metal organometallics as catalysts in the production of polyalkenes.
Two industrially funded projects in this area focus on the development of new
generation soluble Ziegler-Natta type catalysts.
Supra-molecular chemistry (synthesizing large molecules),
Especially those that form porous frameworks patterned after naturally occurring
aluminosilicates (clays and zeolites.)
These frameworks can be built for selective processes, from the separation of
environmental toxins from water to the detection of carbon monoxide
2.4 of the Plan, environmental design and sustainability, water management
Development of new computational methods (based on DFT)
To study catalysis and reactive intermediates, calculate NMR and ESR (electron spin
resonance) parameters, vibrational frequencies and harmonic force fields, and simulate
solvents and steric bulk of ligands.
Experimental and Theoretical Organic Chemistry
This area includes a great deal of research on chemicals with biological activity.
This includes the isolation, structure determination, synthesis and environmental
toxicology of biologically active products from plants, microorganisms and other living
things (1.1.)
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chemistry scope note
New synthesis reactions based on reactions of organosulfur and selenium compounds
are being researched, as is the chemistry and synthesis of carbocations. Here, the
organometallic chemistry of transition metals is under study, to be applied to organic
synthesis.
Lastly, this area studies bitumen upgrading and characterization studies (2.2), and the
chemical basis of Alzheimer's and other neurological diseases (1.1.)
Applications are especially apparent in the research dealing with biologically active
compounds: the compounds can be used in the pharmaceutical industry, and, once
isolated, their environmental toxicological properties can be applied in pest
management, etc. (2.4 of the Plan.)
More detail on this research area, and its relevance to the Academic Plan, is found
below.
Development of new synthetic methods
based on reactions of organosulfur and selenium compounds, including coupling
reactions of unsaturated sulfones, reductive desulfurizations with metal borides, freeradical reactions of selenium compounds and methods for enantioselective synthesis
based on chirality transfer from sulfur and selenium to carbon.
Chemistry of biologically active natural products
From plants, microorganisms, arthropods, and higher animals.
Studies include isolations and structure determinations, syntheses, and investigations of
biosynthesis and metabolism.
Studies may also involve an assessment of the environmental toxicology of the natural
product.
There are collaborations with other research groups (e.g. X-ray crystallographers,
pharmacologists, and entomologists).
Present work is with diterpenoid and pyrrolizidine alkaloids, glucosinolates and various
other natural products, as well as synthesizing biologically interesting target molecules:
including steroidal enzyme inhibitors, azasteroids with anticancer activity, antibiotics
(antiviral agent virantmycin, antifungal agent Antibiotic A25822B), dendrobatid
alkaloids, brassinolide and related plant growth-promoters and insect anti-feedants
related to bakkenolide A.
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chemistry scope note
The design of novel analogues with custom-tailored properties by means of molecular
modeling is also carried out in conjunction with synthetic studies.
This research corresponds to 1.1 of the Academic Plan, Life and Medical Sciences, which
mentions unique ways to produce drugs, especially applied to Plant Biotechnology.
It can also map to 2.4, Energy and environmental systems and modeling, as the research
can be applied to natural pest management.
Development of new chiral ligands, catalysts, and reagents
For asymmetric transformations at both 1 atm (1 x 105Pa) and high pressures (1-2 GPa).
These are used as key step(s) towards the synthesis of natural products exhibiting
interesting biological activity. In particular, the asymmetric palladium-catalyzed
polyene cyclization is being investigated. Asymmetric Heck reactions are being studied
using a variety of heterocycles. New C2-symmetric heteroaromatic biaryls are being
designed and synthesized which contain a variety of functional groups that can act as
ligands with metals (Pd, Ni, Ti, etc.) and Lewis acids (B, Al, Zn, Sn, etc.). Solid phase
organic synthesis is being studied by the attachment of new chiral molecules to both
soluble and insoluble solid supports. The chiral bound solid supports are being used as
substrate bound chiral auxiliaries or as catalysts by complexation with a variety of Lewis
acids. Current synthetic targets include the halenaquinone, venturicidin A, chiral spirosystems, pyran and piperidine containing natural products. (1.1)
Preparation of stable carbocations
(a positively charged ion whose charge resides at least partially on a carbon atom or
group of carbon atoms) and their subsequent chemistry (e.g., structure,
rearrangements, thermo-chemistry, photochemistry, etc.)
This work involves extensive use of a number of other tools, including molecular orbital
calculations.
Organometallic chemistry of transition metals
Particularly in finding novel reactions of use in organic synthesis.
Bitumen upgrading and characterization studies
2.2, Hydrocarbon recovery and upgrading; 2.3, Alternative Energy.
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chemistry scope note
The chemical basis of Alzheimer's and other neurological diseases
Specific sites on peptides and membranes where oxidative damage occurs; studying
radicals: propagation of damage by radicals, peroxynitrite and dioxirane oxidations,
solution thermochemistry of free radicals, intermediates in free radical oxidation of
lipids; copper/prion binding and reactivity; structure and oxidation of polyunsaturated
lipid bilayers: linoleic acids, linolenic acids, and sphingolipids.
1.1: like much of the health/pharmaceutical-related Chemistry research, this will benefit
new treatments for disease.
Applied Chemistry
This area includes electrochemistry, developing methods of separations and extractions,
catalysis (as discussed in area 1, above), polymer chemistry, particularly nanostructures,
sulfur chemistry, and environmental chemistry, especially wood preservatives in soils,
bark beetle semiochemicals and other insect pheromones, and inorganic
photochemistry (discussed in area 1, above).
Applications of electrochemistry include fuel cells (2.3 of the Plan) and glucose
biosensors for diabetics (1.1.)
Research into the methods of separations and extractions will yield better detection
methods for analysis of compounds in environmental, biological and industrial samples,
and better, environmentally friendly purification methods (2.4 of the Plan.)
Polymer chemistry can be applied to nanotechnology, where new polymerization
methods lead to different nanostructures that may be used in controlled drug delivery
(1.1.) Sulfur chemistry research is looking at the recovery of sulfur from fossil fuels and
the use of sulfur in industry (2.2 of the Plan.)
Semiochemical studies can lead to an overall understanding of the ecological
relationships between trees, beetles, and symbiotic fungi (2.4); insect pheromones can
also shed light on the chemistry behind the sense of smell.
More detail on this area, and relevance to the Academic Plan, is found below.
Electrochemistry
Electrode surfaces, thin films
propensity of biofilms (a structured colony of bacteria) to induce corrosion of
metals in the oil and gas industry.
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chemistry scope note
Electrochemical methods are being employed to detect and characterize biofilm
formation on metal surfaces, while also carrying out confocal microscopy and
fluorescence correlation spectroscopy), hydrous oxides, monolayers, adsorption.
Research can be applied to 2.2 of the Plan, Hydrocarbon recovery and upgrading,
and possibly 2.3, Alternative energy. An understanding of how thin films form,
and how to prevent them, can improve operations in the industry.
Mechanisms and kinetics of the formation of oxide films
At metal electrode surfaces, with a parallel focus on the resulting properties of
these materials
Fuel cell research
2.3 of the Plan mentions fuel cells as an alternative energy
Aluminum corrosion
Electrochemically produce a thick, protective oxide film on the surface of
specialized light weight Al and Mg alloys, to be used in aerospace applications
glucose biosensors
for diabetics that have the enzyme, glucose oxidase, embedded into it .
1.1 of the plan includes new treatments for disease, and unique ways to produce
drugs; this may also fall under 1.2, Bioengineering.
Analytical chemistry, electrochemistry, spectroelectrochemistry,
metalloporphyrins
Development of electroanalytical and in situ spectroelectrochemical techniques
and their application to problems in analytical chemistry, electrochemistry and
bioelectrochemistry.
Presently, emphasis is placed on the use of in situ Fourier Transform Infrared
Reflectance Spectroscopy to elucidate the role of adsorbed intermediates in the
electro-catalytic oxidation of small organic molecules at solid electrodes.
These studies are fundamentally important in electrocatalysis. Also of current
interest is the anodic oxidation of a type of synthetic metalloporphyrin. Modern
voltammetric and spectroelectrochemical methods are being applied to
understand how the axial coordination environment of the central metal atom in
the metalloporphyrin influences the site of electron transfer within the complex,
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chemistry scope note
and to assess the potential of the oxidized porphyrin as a model for a type of
porphyrin-mediated biological reaction.
Separations, extractions (analytical chemistry)
Develop sample preparation, chromatography, and detection methods
For the analysis of trace organic and organometallic compounds in
environmental, biological, and industrial samples.
The methods developed can be applied to 2.4 of the Plan, Energy and
environmental systems and modeling, particularly towards environmental design
and sustainability.
Analysis of various additives and contaminants
In samples from the petroleum and polymer industries.
The techniques developed can be applied toward 2.2, Hydrocarbon recovery and
upgrading.
Construction and characterization of chromatographic detection methods
This primarily encompasses photometric techniques because of their selectivity
and sensitivity to certain target analytes. However, other projects have produced
ionization and acoustic based methods.
Current interests include the development of sensitive and specific multichannel detectors for use in gas and supercritical fluid chromatography.
Interests in sample preparation involve the development of rapid and
environmentally compatible extraction methods using sub and supercritical
fluids.
Past projects include the removal of metal ions and organic extractives from pulp
and paper samples using supercritical carbon dioxide and sub critical solvents.
Current interests in this area are the characterization and application of liquid
carbon dioxide and sub critical water as extraction alternatives to
environmentally hazardous organic solvents. (2.4)
Catalysis: as above
Polymers:
Preparation, characterization, and application of polymeric nanostructured materials.
The nanostructures are prepared from tailor-made functional block copolymers from
two approaches: Novel nanostructures are obtained by effecting the self-assembly of
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chemistry scope note
block copolymers into new morphologies such as egg-like and onion-like micelles.
Chemical reactions such as crosslinking and degradation are used to modify the
structure of known block copolymer assemblies to yield new nanostructures.
Approach 2 was pioneered systematically in the Chemistry department, resulting in a
range of nanostructures including nanofibers, nanochannels in polymer thin films,
crosslinked polymer brushes (monolayers), and hollow and porous nanospheres.
Thin films with nanochannels are potentially useful as super-selective membranes.
Water-soluble hollow and porous nanospheres may be used as vehicles in controlled
drug delivery.
Section 1.1 of the Plan mentions new treatments for disease, and unique ways to
produce drugs. These nanospheres are possibly unique drug delivery methods, and may
also fall under Bioengineering, 1.2 of the Plan.
Sulfur Chemistry:
Sulfur, organosulfur, polysulfides, oil/gas, recovery of sulfur from fossil fuels (2.2
Hydrocarbon recovery and upgrading) and chemistry relating to the use of sulfur in
industry, kinetic and thermodynamic study of the combustion of hydrogen sulfide,
carbon dioxide, ammonia (H2S, CO2, NH3) mixtures, the reaction of hydrogen sulfide,
sulfur dioxide, carbon disulfide and carbonyl sulfide (SO2, CS2 and COS) over Al2O3 and
TiO2 surfaces, the production of hydrogen and hydrogen/carbon monoxide mixtures
from thermal treatment of hydrogen sulfide and hydrogen sulfide/carbon dioxide and
studies on aqueous hydrogen sulfide/carbon dioxide chemistry (there are possible ties
to 2.3 since hydrogen is listed as an alternative energy.)
Catalytic routes for the conversion of ethane and small hydrocarbons to alkenes are also
under investigation. The use of natural and synthetic clays for the synthesis of
organosulfur compounds and for the removal of organosulfur compounds from
petroleum and its products (2.2.)
Work is also underway to understand the influence of high temperature chemistry of the
hydrogen sulfide/carbon dioxide/ammonia system in connection with the composition
of pre-biotic earth atmospheres.
Environmental Chemistry
Interaction of commonly used wood preservatives
And native Canadian soils is being studied from the perspective of their sorption
behaviours.
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chemistry scope note
The source, fate, biological activity, and significance of native bark beetle
semiochemicals (semiochemicals are substances that deliver a message or signal
from one organism to another, e.g. pheromones.)
Semiochemicals are studied in the context of the total ecological complex
including host tree, sympatric coleopterans and associated symbiotic fungi.
This research can be applied to 2.4, especially environmental design and
sustainability.
Insect pheromones
are also being studied, in order to understand the molecular basis of olfaction.
This includes investigating pheromone mediated operational strategies for
monitoring and manipulating forest insect pests (2.4.)
Inorganic photochemistry:
see Inorganic photochemistry, under Experimental and Theoretical Inorganic
Chemistry
Physical and Theoretical Chemistry
This area researches the behaviour of aromatic molecules in living cells and models of
living cells, the interaction of electromagnetic fields with biological cells, the ability of
left- and right-handed or asymmetric molecules to rotate the plane of polarized light
(chiroptical phenomena), and modeling solvation effects in elementary reaction steps (as
discussed above in 1, Organometallics.)
It also studies the theory of nonlinear differential equations, relativity with respect to
chemical bonds and the arrangement of the periodic table, the calculation of
frequencies, NMR, and ESR parameters, and vibrational circular dichroism (VCD)
spectroscopy, which is applied to looking at DNA conformational changes and insect
pheromone structure.
Studying the behaviour of aromatic molecules will lead to greater understanding of how
toxins and pharmaceuticals are absorbed into cells (1.1.)
More detail on this research area, and its relevance to the Academic Plan, is found
below.
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chemistry scope note
Behaviour of aromatic molecules in living cells and models of living cells
How small changes in molecular structure affect the subcellular partitioning and
diffusion behaviour of molecules such as pharmaceuticals and toxins. This will lead to
more relevant molecular uptake data for new drugs during the developmental stage
Section 1.1 of the Plan, especially new treatments for disease, and unique ways to
produce drugs.
Systems of current interest are Heme-based molecules (heme is the non-protein
portion of hemoglobin and myoglobin, consisting of iron bound to a porphyrin ring)
used in photodynamic therapy, pyrene and pyrene-derivatives, which are known
carcinogens and indole-based biomolecules such as serotonin (a neurotransmitter with
hormonal properties, thought to play a part in blood pressure control and smooth
muscle contraction) and melatonin (a neurohormone related to the sleep-wake cycle,
and when used as a drug, reputed to control jet lag).
Molecules are traced using their unique absorption and emission spectra and diffusion
behaviour is measured using fluorescence correlation spectroscopy and two-photon
confocal microspectroscopy.
Work is currently being carried out to understand the fundamental two-photon
spectroscopy of several biologically relevant molecules in various media. (Fluorescence
correlation spectroscopy is a technique where the time autocorrelation function of
fluorescence fluctuations is measured and serves as a monitor of the number of
particles in the volume of examination. Two-photon confocal microspectroscopy is a
technique that allows molecules in an extremely small volume to be illuminated, i.e.
molecules in volumes as small as 0.5 cubic micrometers can be excited selectively.)
Interaction of electromagnetic fields with biological cells
Theory of nonlinear differential equations
Provides information about the physical and chemical nature of a system
Chiroptical properties, (vibrational) circular dichroism (a type of chiroptical property.)
Redox (reduction and oxidation) chemistry, and electron transfer
Relativity
Influence of relativity on the chemical bond and the periodicity of the elements.
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chemistry scope note
First principle calculations of response properties
Such as frequencies, NMR and ESR (electron spin resonance) parameters, and other
methods to calculate NMR and ESR parameters
Modelling of steric bulk and solvation effects in elementary reaction steps
as above, for section 1, Experimental and Theoretical Inorganic Chemistry,
Organometallics
Vibrational circular dichroism (VCD) spectroscopy
Which entails the use of existing theories and/or developing modifications, and the
measurement of experimental spectra. This is applied to conformational changes in DNA
molecules arising from interactions with various agents, such as drugs or hormones,
characterization and dynamic changes of polymeric materials, and selected chiral monoand polycyclic molecules, especially known insect pheromones.
Additional research includes:
Teaching
The development of methods for teaching the dynamical behavior of chemical systems
and of quantum mechanics to undergraduates
Effective teaching methods in organic and environmental chemistry for undergraduates
Research Collections
Exclusions
Biochemistry, as noted above, is covered by Biology, 4539, except where it involves specific
biologically-active molecules that are studied by the department.
Physical Chemistry does not include topics at the subatomic level (leptons, quarks, etc.), which
are covered by Physics.
Chemistry Education does not include chemical education at the elementary and secondary
levels, which would more appropriately be covered by Education.
Interdisciplinary Considerations
Overlap in the undergraduate area occurs with Physics (with the Chemical Physics Honours
program), as well as with topics such as spectroscopy. Computational quantum chemistry
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chemistry scope note
applies mathematics and computer science principles; however, the research should not
overlap.
Environmental Chemistry materials are used by those studying environmental science.
Many of the research areas involving chemical action, synthesis or structural study of biological
molecules can be applied to areas of Environmental Science, Medicine and/or Biology.
There are some overlaps with Chemical Engineering, especially in the areas of alternative
energy.
No agreements with other funds exist.
Selection Notes
Language: mainly English
Level : scholarly and academic materials, some texts. Student Union funds may be used to
purchase workbooks or problem sets.
Date : recent/current
Geography: due to the nature of the discipline, most works do not have a geographic emphasis.
However, many of the publishers will be North American, European or British.
Formats: mostly print
Location: mainly MacKimmie
Duplication: only for heavily used materials
Publishers: ACS (American Chemical Society), RSC (Royal Society of Chemistry), Elsevier &
Imprints, Kluwer, McGraw-Hill, Springer, Wiley, Oxford, Cambridge
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chemistry scope note
References
Hunt, J. A. (1999). Dictionary of chemistry. London ; Chicago, Ill.: Fitzroy Dearborn.
Lewis, R. J., reviser (1997). Hawley’s condensed chemical dictionary. 13th ed. Toronto: John
Wiley & Sons, Inc.
McGraw-Hill encyclopedia of science & technology: an international reference work in twenty
volumes including an index. (1997). New York: McGraw-Hill.
Oxford dictionary of biochemistry and molecular biology. Rev. ed. (2000). Toronto: Oxford
University Press.
Schramm, L. L. (2001). Dictionary of colloid and interface science. 2nd ed. Toronto: John Wiley &
Sons, Inc.
www.chem.ucalgary.ca
www.cobalt.chem.ucalgary.ca/group/Chair.html
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