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 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: Solid 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: 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: Equipped with o X-band o Q-band Measurement can be performed in a single crystal 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) Available mode of use: Solid (both powder and single crystals) 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 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 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: 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: 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: 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 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: 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. Available mode of use: Solid 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: 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: 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: 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: 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 : 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: 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: 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: • • • • Temp. Range: Ambient to 1500C Heating Rate: 0.01C- 1000C/min Balance Type: Horizontal Differential type. Atmosphere: Air, Inert Gas, Vacuum (10-2Torr). Available mode of use: 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: 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: Gas Solid 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: 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: 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)