here - Department of Chemistry

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Single Crystal X-ray Diffractometer
Single crystal X-ray diffractometer:
It facilitates to determine accurately the spatial arrangement of the atoms in a
molecule in 3-dimentional space.
Make and Model:
Rigaku Saturn 724+ /Dual Source (Cu and Mo K)
Single Cryatal X-ray diffractometer
Specification/ Features:

Data collection can be done at
100 K as well as ambient condition
Available mode of use:
 Solids (organic and inorganic complexes)
Whether the facility is open to external users: Yes
Location: 3rd Floor, near chemistry workshop
Department: Department of Chemistry
Contact details: 022-25764157
Convenor/incharge Name: Prof. M. S. Balakrishna (krishna@chem.iitb.ac.in)
Prof. P. Ghosh (pghosh@chem.iitb.ac.in)
NMR Spectrometer (500 MHz)
Nuclear magnetic resonance spectroscopy is used to study 1. Molecular conformation in
solution II) Quantitative analysis of mixtures containing known compounds III)
Determining the content and purity of a sample IV) Through space connectivity
(overhauser effect)
Make and Model:
Bruker (Germany) Avance III HD
Specification/ Features
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Magnet : Bruker AscendTM 500
Probe : Tuneable Multinuclear Probes
(1H, 11B, 13C, 31P, 19F , 77Se , 125Te , 199Hg)
Bruker NMR software : Topspin 2.1
Variable temperature capability (-40 to +60° C)
Various 2D experiments
Available mode of use:
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Solid
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Liquid
Whether the facility is open to external users: yes
Location:
Room no: CL 16, Ground floor
Department: Chemical engineering, IIT Bombay, Powai, Mumbai-400076
Contact details: 022-25764181
Convenor/incharge Name: Prof. S. J. Gharpure
Email id: sjgharpure@chem.iitb.ac.in
NMR Spectrometer (400 MHz)
Nuclear magnetic resonance spectroscopy is used to study 1. Molecular conformation in
solution II) Quantitative analysis of mixtures containing known compounds III)
Determining the content and purity of a sample IV) Through space connectivity
(overhauser effect)
Make and Model:
Bruker (Germany) Avance III 400
Specification/ Features:
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Magnet : Bruker UltrashieldTM 400
Probe : Tuneable Multinuclear Probes
Sample changer : Bruker Automatic Sample changer
Bruker NMR software : Topspin 2.1
NMR holder: Bruker Multiple Adjustable Tube Clamp
Holder
Variable temperature Capability
Available mode of use:

Liquid
Whether the facility is open to external users: yes
Location:
Room no: CL 16, Ground floor
Department: Chemical engineering, IIT Bombay,
Powai, Mumbai-400076
Contact details: 022-25764181
Convenor/incharge Name: Prof. S. J. Gharpure
Email id: sjgharpure@chem.iitb.ac.in
Electron Paramagnetic Resonance (EPR)
(X-band and Q-band)
Electron paramagnetic resonance is an excellent tool to understand the electronic
structure of the paramagnetic complexes.
Make and Model:
Bruker EMX Plus series (Germany)
Specification/ Features:
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Equipped with
o X-band
o Q-band
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Measurement can be performed in
a single crystal
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Magnetic field sweep is possible
from 100 mG to the maximum field
depends upon the band (X/Q) selected.
Variable temperature measurements can be performed (4K – 300 K)
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Available mode of use:
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Solid (both powder and single crystals)
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Liquids
Whether the facility is open to external users: Yes
Location:
Ground Floor (Behind the security office, adjacent to the chemistry building)
Department: Department of Chemistry
Contact details: 022-25764132
Convenor/in-charge Name: Prof. G. Rajaraman (rajaraman@chem.iitb.ac.in)
Prof. Maheswaran Shanmugam (eswar@chem.iitb.ac.in)
Superconducting Quantum Interference
Device (SQUID) and iHelium3 setup
Superconducting quantum interference device is a very sensitive magnetometer used to
measure the magnetic moment of a sample even if the amount is very less and low
moment.
Make and Model:
Quantum Design U.S.A. and Japan
MPMS XL
Specification/ Features:

Equipped with superconducting
magnet (7 Tesla).
 Operating working temperature
range 2-300 K.
 Direct current and alternating
current magnetic susceptibility
can be measured.
 Equipped with iHelium 3 set-up to
measure the magnetic susceptibility
of a sample in ultra-low temperatures (300 mK to 350 K)
 Equipped with Fibre optic sample holder (FOSH) for measuring the magnetic
moment of a sample in the excited state through the excitation of Xenon lamp.
 Single crystal rotor is available for measuring the magnetic susceptibility of a
single crystal.
Available mode of use:

Solid
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Liquid
Whether the facility is open to external users: Yes
Location:
Room no. 003, LTP Lab, Ground Floor
Department: Physics, IIT Bombay, Powai, Mumbai – 400076
Contact Details: 022-25764552
Convenor/in-charge Name: Prof. R. Murugavel (rmv@chem.iitb.ac.in)
Prof. Maheswaran Shanmugam (eswar@chem.iitb.ac.in)
High Performance Computing (HPC) Cluster
High performance computing cluster:
High-performance computing cluster can be utilized to perform electronic structure
calculations of molecules which are of interest to chemists. Various commercial as well
as freeware are already installed in the cluster for calculations.
Make and Model:
45 node Fujitzu HPC cluster
Specification/ Features:
 45 nodes (2x12 core intel) processors
with 4GB per core RAM and 25TB Parallel file system
Available mode of use:
 Gaussian-09
 MOLCAS
 ORCA
 GROMACS
Whether the facility is open to external users: Yes
(Only for Chemistry department groups)
Location:
Room no: HPC data centre, Computer room (II Floor)
Department: Department of Chemistry
Contact details
: Mr. Ratish Sekhar
Convenor/incharge Name
: Prof. G. Rajaraman
Email id
: rajaraman@chem.iitb.ac.in
High Resolution Mass Spectrometry
The Bruker maXis Impact is excellent in molecular mass analysis of both known and
unknown compound. Machine can provide one step qualitative and quantitative data in
a single rapid analysis.
Make and Model:
Maxis Impact (BRUKER)Sr no.282001.0008
Specification / Features
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Sub-ppm mass accuracy and 40,000 full
sensitivity resolution.
Extreme sensitivity across the entire mass
Range from very small molecules to intact
proteins.
High speed MS/MS capabilities with full
U-HPLC compatibility.
Simultaneous analysis of major and trace
sample components.
Isotopic fidelity for definitive molecular
formulae determination.
Robust and easy to operate system.
Certainty in identification in combination with
Smart Formula 3DTM – unequivocal formula
generation with superb mass accuracy.
Better than 0.8ppm Mass accuracy.
Available mode of use:
ESI +ve and –Ve
APcI +ve and – Ve
Whether the facility is open to external users? : Yes
Location:
Room No.: 370, Second Floor, Central Facility.
Department: Department of Chemistry
Contact details: 022-25764153
Convenor/in-charge name: Prof. M. Ravikanth
Email id: ravikanth@chem.iitb.ac.in
High Resolution Mass Spectrometry
The Micromass Q-Tof micro Mass spectrometer can be used as a research tool to deliver
authenticated exact mass in both MS and MS-MS mode.
Make and Model:
Q-Tof microTM: Micromass (Waters UK Ltd.)
Specification/ Features:
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High mass resolution up to 5 ppm range
Atmospheric chemical ionization
Tandam Mass( MS-MS) ionization
LC –MS applications
Available mode of use:
ESI +ve and –Ve
APcI +ve and - Ve
Whether the facility is open to external users? : Yes
Location:
Room no. : 370, Second Floor, Central Facility
Department: Department of Chemistry
Contact details: 022-25764153
Convenor/in-charge name: Prof. I. N. N. Namboothri
Email id: irishi@chem.iitb.ac.in
Surface Area Analyzer
Surface area analyzer is a very sensitive technique to find out the surface area, size,
shape and volume of the pores. It is also useful to calculate the catalytic activity of the
solid catalyst.
Make and Model:
Quantachrome Autosorb AS-1Version-1.55
Specification/ Features:
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Fully automated analyzer for surface area and
pore size measurement.
Operate with any non-corrosive adsorbate and
wide variety of coolants.
High sensitivity is ensured by multiple pressure
transducers, minimum void volume and accurate
coolant level control.
Machine can be used to calculate the surface area
and pore size distribution of the sample.
It can also calculate the total pore volume of the
sample.
Available mode for use:
Nitrogen at 77K
Hydrogen at 77 K
Carbon dioxide at 273K
Whether the facility is open to external users? : Yes
Location:
Room no. : 370, Second Floor, Central Facility
Department : Department of Chemistry
Contact details: 022-25764159
Convenor/incharge Name: Prof. R. Murugavel
Email id: rmv@chem.iitb.ac.in
UV-Vis-NIR Spectrophotometer
UV-Vis-NIR spectrophotometer is a high sensitivity, high resolution, low stray light
instrument for transmission and absorption measurements of powder, thin films, solid
and liquid samples. It will normally be fitted with an Integrating Sphere with a working
range of 185 to 3300 nm.
Make and Model:
Shimadzu (Japan)
UV-NIR-3600
Specification/ Features:
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Experiments can be performed
with wide range of wavelength
185 nm - 3300 nm.
Equipped with 3 detectors
i)
PMT (photomultiplier tube) for the ultraviolet and visible regions.
ii)
InGaAs and PbS detectors for near infrared regions.
High performance double monochromator and ultra-low stray light (less than
340 nm) is achieved at high resolution (highest resolution 0.1 nm).
Suitable for powder, thin films, solid and liquid samples.
Variable temperature measurement facilities available
Available mode of use:

Solid
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Liquid
Whether the facility is open to external users: Yes
Location:
Room no. 370, Second Floor, Central Facility
Department: Department of Chemistry
Contact details: 022-25764159
Convenor/incharge Name: Prof. M. Ravikanth
Email id: ravikanth@chem.iitb.ac.in
ATR-IR Spectrometer
Attenuated total reflection (ATR) is a sampling technique associated with infrared
spectroscopy enables to examine the samples directly in the solid and liquid state
without further preparation. It helps to identify the presence of functional groups in the
complexes.
Make and Model:
Bruker Tensor 27 FT-IR (Germany)
Specification/ Features:
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Equipped with room temperature
DTGS (Deuterated Triglycine
Sulphate) detector.
IR source ranges from 4000-400 cm-1.
A single beam instrument with a KBr beam-splitter.
The standard cell in the FT-IR is basically a pike miracle single-bounce attenuated
total reflectance cell.
The standard sample cell equipped with a ZnSe single crystal.
Suitable for solid and liquid samples.
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Available mode of use:
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Solid
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Liquid
Whether the facility is open to external users: Yes
Location:
Room no. 370, Second Floor, Central Facility
Department: Department of Chemistry
Contact details: 022-25764159
Convenor/incharge Name: Prof. Anindya Datta
Email id: anindya@chem.iitb.ac.in
HPLC
The high performance liquid chromatography is an important tool in organic chemistry
to separate, identify and quantify the components in the mixture of compounds.
Make and Model:
Agilent 1260 Infinity (U.S.A)
Specification/ Features:
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A maximum pressure of 600 bar to utilize smaller
particle size columns for higher resolution and
faster separations.
 A wide flow range up to 10 mL/min (at 200 bar)
perfectly supports standard up to semipreparative applications.
 Easy, fast and secure transfer of methods from
HPLC to sub-2-micron columns.
 Reversed phase chromatography is equipped with the HPLC.
Available mode of use:

Liquid
Whether the facility is open to external users: Yes
Location:
Room no. 370, Second Floor, Central Facility
Department: Department of Chemistry
Contact details: 022-25764159
Convenor/incharge Name: Prof. Pradeepkumar P.I.
Email id: pradeep@chem.iitb.ac.in
Differential Scanning Calorimeter
The Q20 is a cost-effective, easy-to-use, general-purpose DSC module, with calorimetric
performance superior to many competitive research-grade models. The Q20 is ideal for
research, teaching, and quality control applications that require a rugged, reliable, basic
DSC.
Make and Model:
TA Instruments / DSC Q20
Specification/ Features:
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Dual digital mass flow controllers
Thermal analysis, rheology and
microcalorimetry of the sample.
Available mode of use:
Solution state
Temperature Range: -90°C to 500°C
Whether the facility is open to external users: Yes
Location:
Room no: 370, Second Floor, Central Facility
Department: Chemistry, IIT Bombay, Powai, Mumbai-400076
Contact details: 022-25764159
Convenor/incharge Name: Prof. Anil Kumar
Email id: anil@chem.iitb.ac.in
Fluorescence Spectrophotometer
The Fluorescence Spectrophotometer offers the ultimate sensitivity in fluorescence or
emission profile of the complex under investigation. The instrument is easy to use and is
controlled by FluorEssence software with Origin embedded for sophisticated data analysis.
Make and Model:
Horiba Scientific Instrument /Fluoromax-4
Specification/ Features:
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The sample is illuminated by a 150 W xenon (ozone-free lamp) with continuous
output.
 The excitation monochrometer has an optical range of 220 – 600 nm blazed at
330 nm.
 The emission monochromator has an optical range of 290 – 850 nm blazed at
500 nm.
 The slit widths may be continuously adjusted though the software from 0 - 30
nm bandpass.
 The FluoroMax 4 has two detectors.
i)
Calibrated photodiode reference detector to correct for intensity and
temporal fluctuations in the source during excitation scans.
ii)
R928P red-sensitive PMT used in photon counting mode.
Available mode of use:
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Solids
Liquids
Powders and thin films
3D excitation/emission scans
Contour mapping,
Kinetic scans
Whether the facility is open to external users: Yes
Location:
Room no: 370, Second Floor, Central Facility
Department: Chemistry, IIT Bombay, Powai, Mumbai-400076
Contact details: 022-25764159
Convenor/incharge Name: Prof. Anindya Datta
Email id: anindya@chem.iitb.ac.in
Gas Chromatography-Mass Spectrometry (GCMS)
Gas Chromatography-Mass Spectrometry provides maximum information from
every run using advanced analysis capabilities. It provides better MS resolution and the
lowest mass deviation with superior sensitivity and spectral integrity. This is
particularly useful to identify the product formation and useful in organic synthesis and
catalysis purpose.
Make and Model:
Agilent Technologies 5975C
Specification/ Features
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Process more samples in less time with
comprehensive automation features and
faster separations
maximum information from every
run using advanced analysis capabilities
Rapid identification and quantification
enabled by automated spectral
deconvolution software
Accurate temperature control (oven, inlet, MS transferline)
Accurate, precise injection systems.
Triple-Axis Detector.
Available mode of use:

Liquids
Whether the facility is open to external users: Yes
Location:
Room no: 370, Second Floor, Central Facility
Department: Department of Chemistry
Contact details: 022-25764154
Convenor/in-charge name: Prof. D. Maiti (dmaiti@iitb.ac.in)
Prof. Maheswaran Shanmugam (eswar@chem.iitb.ac.in)
Circular Dichroism Spectrophotometer
Circular dichroism (CD) spectroscopy measures differences in the absorption of
left handed polarized light versus right handed polarize light which arises due to
structural asymmetry. CD is most applicable to characterize the secondary structure.
Make and Model:
JASCO, J-815 CD
Specification/ Features:
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Circular dichroism /UV/VIS absorbance
Peltier cell holders, single and six position.
Automatic titration system.
Permanent electro and super conducting magnets.
Machine can do the conformational study of proteins.
Detection of changes in structure upon mutagenesis.
Available mode of use:
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Liquids (15˚-40˚ C)
Whether the facility is open to external users: No
Location:
Room no.: 370, Second Floor, Central Facility
Department: Chemistry, IIT Bombay, Powai, Mumbai – 400076
Contact details: 022-25764159
Convenor/incharge Name: Prof. Anindya Datta
Email id: anindya@chem.iitb.ac.in
Thermo gravimetric Differential Thermal Analyser
The Diamond (TG/DTA) combines the high flexibility of the differential
temperature Analysis (DTA) feature with the thermogravimetric measurement. The
combination ensures that sample is exposed to identical thermal treatment and allows
one to identify exothermic or endothermic transition associated with expected
transition.
Make and Model:
Perkin Elmer(USA) Diamond TG/DTA
Specification/ Features:
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Temp. Range: Ambient to 1500C
Heating Rate: 0.01C- 1000C/min
Balance Type: Horizontal Differential type.
Atmosphere: Air, Inert Gas, Vacuum (10-2Torr).
Available mode of use:
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Solids
Whether the facility is open to external users: Yes
Location:
Room no.: 370, Second Floor, Central Facility
Department: Department of Chemistry
Contact details: 022-25764159
Convenor/incharge Name: Prof. G. K. Lahiri
Email id: lahiri@chem.iitb.ac.in
Elemental Analyser (C, H, N and S)
The C,H,N,S (O) analyser find a utility in determining the carbon, hydrogen, nitrogen,
sulphur of organic compound based on the principle of “ Dumas method” which involves
the complete instantaneous oxidation of the sample by “flash combustion” the
combustion product are separated by chromatographic column and detected by thermal
conductivity detector.
Make and Model:
Elementar (Germany) Vario Micro cube
Specification/ Features:
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High temperature combustion: quantitative
sample digestion at 1200oC
Largest weighing range:(>1mg to 800mg)
Temperature Programmed Desorption
(automated optimization of the time per analysis)
Available mode of use:
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Gas
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Solid
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Liquids
Whether the facility is open to external users: yes
Location:
Room no.: 370, Second Floor, Central Facility
Department: Department of Chemistry
Contact details: 022-25764159
Convenor/incharge Name: Prof. M.S. Balakrishna
Email id: krishna@chem.iitb.ac.in
Nanosecond Laser Facility
Name of the facility:
Nanosecond Nd:YAG Pumped Dye Laser
Tunable Dye laser with output from 400 – 800 nm, with the option of frequency
doubling. Complete tunning range 210 – 800 nm
Make and Model:
Radiant Dyes, Narrow Scan GR
Specification/ Features:
Tunable Dye laser with output from 400 – 800 nm, (with the option of frequency
doubling)
Complete tuning range 210 – 800 nm.
Available mode of use: Based on individual requirements
Whether the facility is open to external users: YES
Location:
Room no: 206
Department: Chemistry
Contact details
: 022-25767182 / 022-25764191
Convenor/in-charge name : G. Naresh Patwari
Email id
: naresh@chem.iitb.ac.in
Atomic Force Microscopy (AFM)
Atomic Force Microscopy:
Measurement provides topographic (height) information or size (height/thickness)
distribution in solid samples (soft/hard materials)
under ambient conditions.
Make and Model:
NanoSurf FlexAFM; EasyScan2
Specification/ Features:
AFM Single scan head for height or topographic
profile down to ~1 nm (Z) and ~25 nm (XY)
Maximum scan range XYZ up to 10x10x3 µm
CCD Camera for tip surface distance adjustment
Automatic Laser alignment for tip-approach
Data acquisition and analysis software
Available mode of use:
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Contact and tapping (dynamic) mode
Possible to perform Phase contrast Imaging,, Force Modulation microscopy,
Magnetic Force Microscopy (user need to buy tips), and Force spectroscopy
Measurements at ambient conditions; require special cell(petridish) for solution
Whether the facility is open to external users: Yes
Available to faculty and students of Chemistry Department being a part of the
Physical Chemistry (teaching) Laboratory.
Note: Limited availability of AFM tips – regular users have to replace tips if they
are damaged during usage.
Location: 1st Floor of Physics Department, Room PH21
Department: Department of Chemistry
Contact details: 022-25764155 (Charine Astrid, Physical Chemistry Laboratory)
Convenor/incharge Name: Prof. Arindam Chowdhury
Contact information: Phone: 9769397154/(x7154); Email: arindam@chem.iitb.ac.in
Single crystal X-ray diffraction for Macro Molecules
It facilitates to determine accurately the spatial arrangement of the atoms in a
molecule in three dimensional spaces. This helps in determination of structures of
biological macromolecules (such as proteins and enzymes etc.) to understand the
interactions and functions at the molecular levels.
Make and Model:
Rigaku Micro Max – 007HF High Intensity Microfocus Rotating Anode X – ray Generator.
Specification/ Features:
Diffractometer:
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Target : Cu
Scanning mode : 0 - 180o ω scan: 0 - 180o θ scan
Detector : Rigaku R Axis IV ++
Beam size at the sample : 100 µm
Data can be collected at low temperature (100 K)
Available mode of use:
 Solid (crystals, fibres, small molecules)
Whether the facility is open to external users: Yes
Location: Room No. 103, Ground floor
Department: Sophisticated Analytical Instrument Facility (S.A.I.F), IITB
Contact details: 022-25767165
Convenor / Incharge Name: Prof. Ruchi Anand (ruchi@chem.iitb.ac.in)
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