• Main Group Chemistry and Molecular Magnetism

Ph.D Students

Name: Jayasree K
Roll No.: CY17D004

Working on N2 activation b

Name: Prathap R

Area of Interest:

  • 1. Carbene and aryne chemistry (CAAC, NHC, aNHC, or iMICs)
  • 2. Organometallic chemistry (Synthesis of Metal complexes with iMICs)

Name: Sujit Das

Working on experimental chemistry and simulation

Name: Saurav Ghosh

Working on experimental chemistry and simulation

Name: Sonam

Area of Interest: Multifaceted Investigations in Inorganic Chemistry and Organometallics: EDA-NOCV Analysis, DFT Calculations, and Bonding Analysis of Exotic Species

Name: Madhuri Bhattacharya

N2 binding and activation by Low Valence and Low Valent Metal Complexes

Research Area:

  • 1. Air Sensitive Radicals Chemistry: Carbenes and Carbones Story
  • 2. Multifunctional Material Synthesis: Catalysis, Magnetic and Photoluminescence Studies
  • 3. Low Valence 3d- Transition Metals Stabilisation
  • 4. Coordinatively Unsaturated Organometallic Compounds (OMCs): Small Molecule Activation (N2, CO2, CO etc.)
  • 5. Nitrogen Reduction Reaction (NRR): Ammonia Synthesis
  • 6. Computational Bonding Analysis: DFT and EDA-NOCV Calculations
Name: Jayasree K
Roll No: CY17D004
Email: jjayasree7@gmail.com
Lab Landline No: 044-2257 5190, 044-2257 5147
Research Area: Synthesis of coordination and organometallic complexes/clusters, investigating their magnetic properties. Electrochemical reduction and Energy storage.
Expertise in: Synthesis of coordination complexes, crystallization, single crystal X-ray data refinements, structure elucidation, Designing active electrocatalyst to find application in electrochemical reduction studies and exploring their applications.
My insight towards science: Science is the most powerful tool which can simplify most of the things and able to make this world the most comfortable and problem-free. By proper utilization and careful handling of resources can improve the survival of living things on the Earth. We have to be creative in thinking and look for ways to implement them.
Why is this work special: Possible to design materials for compact storage devices with 10000 times higher storage density. Making efficient, stable electrocatalysts for nitrogen reduction reaction with more activity and selectivity.
Name: Prathap . R
Email: prathaptony17@gmail.com, cy19d006@smail.iitm.ac.in
Research Area: Preparation of Organometallic complexes and organic catalysis, Organometallic single ion magnets to increase the storage of our pendrive by 10000 times, Main group chemistry with carbene ligands, Synthesis and isolation of stable radicals, diradicals and diradicaloids.
Expertise: Organometallics chemistry, Co-ordination Compounds and its Chemistry, Main group elements.
View on Science: I believe science deserves first place when compare with anything, because it gives a reasonable answer for all your questions. My view about science is that the world has developed in all the field with the help of science and I also believe it is going to be same in the future too.
Special about my research: In our research group, we work in stabilising the sensitive & exotic organometallic compounds which has greater value or application on catalysis. And also we try to analyze its magnetic behaviour (SIM & SMM) and fluorescence properties.
Name: Sujit Das
Email: sujitdas3051@gmail.com
Research Area: Synthesis and Theoretical /Computational Calculation of organometallic compounds and analysis to various application.
Try to have Expertise in: Theoretical and computational chemistry including those that deal with problem of optimization of electronic structure, properties, energetics, bonding analysis, strong/weak interactions, reactivity and catalysis. The computational chemistry program ADF is very powerful tool to understanding and predicting structure, reactivity, catalysis and spectra of molecules. The most important quantum chemistry computer program includes the method Hartree-Fock method and also includes DFT (Density Functional Theory). Another important computational and theoretical tool to understand and to analyze chemical bonds, with the well verified method EDA-NOCV.
View on Science: Science is an intellectual activity carried on by humans that is designed to extract information about the natural world in which humans live and to discover the ways in which this information can be organized into meaningful patterns. It is the knowledge gained from using observation and experiments to describe and explain the world around us.
Why I chose this area of research: Over the decades organometallic complexes have attracted great interests of synthetic and theoretical chemists due to their unique structural features and bonding aspects. Some of these complexes are utilized by inorganic and organic chemists for the binding to small organic substrates, followed by bond activation and finally to serve as catalysts. These complexes have revolutionized the field of catalysis and have been used extensively. The key of application for these complexes is their stability and bonding.
Name: Harsha K Sasidharan
Email: harsha26051996@gmail.com
Research Area: Inorganic Chemistry
Expertise in: I have basic knowledge in Coordination Chemistry, NMR, IR of Organic Molecules, Spectroscopy related to Physical Chemistry.
View on Science: According to me science is something we need a better understanding than memorising things. The importance and applications of science begins from every ones daily life. Trying to acquire scientific knowledge and thinking of its possible applications. For example, if we study Joule Thomson effect, and Carnot cycle, we must understand that its application lies in the working of air conditioner and refrigerator. This is a simple example similarly lot of things are there. Never study for the marks of exam study science for the usefulness of coming generations. Nature itself shows the importance of science, blue color of sky and formation of rainbow, green color of leaves of the trees etc. The science lies everywhere in every aspect.
Special about my Research: I am now dealing with the theoretical part of the molecules. At first sight a molecule seems to be simple toeveryone, because all of them looks mostlyattheir structures. In reality there are many things that need to be analyzedstarting from a simple structure. When we think about the stability of a molecule, its reactivity, bonding features, interactions functional groups in a molecule etc.The clear answer to such questions can be attained from the theoretical calculations such as NBO, TD-DFT, QTAIM and EDA–NOCV calculations. The secrets of a molecule can be easily interpreted through such theoretical calculations which is very interesting to me.
Name: Saurav Ghosh
Email: ghoshsaurav96@gmail.com, cy20d144@smail.iitm.ac.in
Research Area: Synthesis of Organometallic Complexes-Fluorescence and Magnetic Studies
Expertise in: Coordination and Organometallic Chemistry, Magnetochemistry, All types of spectroscopy, and Chemistry of main group elements
Why I chose this research topic: Organometallic Chemistry is one of the most advanced and active research topic of Inorganic Chemistry. It has garnered the interest of the modern day chemists, due to the unique structural and remarkable bonding features, these compounds exhibit. These compounds find innumerable practical applications, as they form the bridge between the Inorganic and Organic Worlds. I am interested in the synthesis of transition and inner-transition metals based organometallic compounds. Thereafter, I want to study their fluorescence, magnetic and electronic properties, and would like to hunt for their applications in the practical world.
My views on Science: Science, according to me is not just a subject. It is far beyond that. It provides a way to observe the various things happening in our body, and in our surroundings, and compels us to think how fascinating is the entire world. This stimulates us to discover the various mysteries present in this world. Science is that knowledge hub, which has the solutions for all themysterious and fascinating queries, occurring in our mind.
Hobbies: During my free time, I like reading novels. I am also fond of watching football and movies. Additionally, I love playing Basketball. I was a state level Basketball champion, during my schooldays in Dehradun.
Name: Madhuri Bhattacharya
Email: madhuribhatt97@rediffmail.com, cy21d094@smail.iitm.ac.in
Qualification: M.Sc. with Analytical Chemistry Special from University of Calcutta (Rajabajar Science Campus).
B.Sc. with Chemistry Honours from Bagnan College under University of Calcutta.
Research Area: Developing potential Organometallic and Co-ordination Complexes with low valance metal ions, their Characterisation and Applications, Theoretical calculations on Stability and Bonding aspects of unusual exotic species, Sensitive chemistry research.
Expertise in: Coordination and Organometallic chemistry, Bio-inorganic chemistry, Air-sensitive compounds synthesis under inert atmosphere, Crystallography, XRD data refinement, Spectroscopy (UV-Vis, IR, NMR, EPR etc.), Mass spectrometry.
My view on Science: To me, answer of every ‘why’ is ‘science’. It enables us to become a good observer and then prove the facts. Proper implementation of science leads to improvement of our society and makes our life comfortable. Searching and researching are continued which finally results explanation of an established fact or sometimes a new invention!
Special about my Research: My research contains experimental as well as theoretical analysis. Motive is to explore the mechanisms of nitrogen binding in bacteria via synthesizing stable organometallic compounds. They can effectively bind the nitrogen and then act as efficient electrocatalyst to reduce it to ammonia in presence of proton source in mild conditions. Theoretical calculations will provide evidence of stability and bonding aspects. In our group, we are also working on their magnetic properties to serve as SIM/SMM and Fluorescence properties.
Name: Sonam
Email: cy21d149@smail.iitm.ac.in
Area of Interest: Multifaceted Investigations in Inorganic Chemistry and Organometallics: EDA-NOCV Analysis, DFT Calculations, and Bonding Analysis of Exotic Species
Research Area: Applying Computational Chemistry to study highly exotic species in Coordination and Organometallic field.
Expertise in: Throughout my Research , I’ll be focusing on Theoretical Calculation on Stability , Reactivity and different bonding aspects of unusual exotic species using DFT and ADF methods.
Science in my words: It is something that makes you think out of the box to find out answers to your curiosity. It is like a sea , the more deep you go, the more deeper you found things which are yet to discover.
Special about my Research: Studying the molecules and exotic species on theoretical level using different aspects like EDA-NOCV, DFT makes the understanding of the molecule much easier with the output data. Using the Computational Chemistry, we can easily predict the reactivity and stability of the species which may be difficult through experimental processes.
Name: Sangita Mondal
Email: sangitamchem146@gmail.com, cy21d150@smail.iitm.ac.in
Research Area: Investigation of chemical bonding, estimation of intrinsic interaction energies of different Organometallic species using computational DFT methods.
Expertise in: : Computational & theoretical chemistry using Density Functional Theory, ADF methods & other important tools to study the structures, bonding properties, electronic spectra of different species and predict the same for different Organometallic complexes.
Special about my Research: It is about the theoretical and computational parts of a molecule, specially any organometallic compound using different methods like DFT (Density Functional Theory) , EDA-NOCV (Energy Decomposition Analysis coupled with Natural Orbital for Chemical Valence) analyses, QTAIM (Quantum Theory of Atoms in Molecules). Learning all these aspects will help us to predict about a chemical species whether it may be possible to synthesize in the experimental laboratory.
My Realization About Science: Science is a special word that I use to answer my curiosity. It is the golden key that, if followed correctly, it will lead to success and failure which can lead to the destruction when it is employed wrongly. It’s the Science through which we can know about the past, deal with the present and even can predict the future to some extent.
My Hobbies: Singing, Reading story books and Novels, watching Cricket, Listening to music.
Name: Christel Livia Mascarenhas
Email: christelmascarenhas98@gmail.com
Research Area: Organometallic chemistry and electronic structure by different modern tools.
Expertise in: Quantitative and qualitative analysis of organic compound by instrument Reverse phase HPLC and LC-MS. I have basic knowledge of coordination chemistry and organometallic chemistry, NMR, IR, Mass Spectroscopy.
View on Science: According to me, science is a beautiful thing that comes into existence through the curiosity created by phenomenon, keen observation, and innovatory ideas which makes a positively remarkable change in the life of human beings. Science is a strong feeling, unlimited passion, a tendency to create something excellent as well as new and endless effort. Science is a universe of an endless boundaries. Its reach is beyond the imagination of human beings. It is the treasure that is found by digging the ground of enormous knowledge. It is the answer to countless puzzles.
Name: Subuhan Ahamed A. A.
Email: subuhan3011@gmail.com, cy23d076@smail.iitm.ac.in
Roll Number:CY23D076
Research Area: Synthesis and investigation of organometallic compounds for applications like electrochemical nitrogen reduction reaction.
Expertise in: Rudimentary skillsets include sensitive synthesis of various compounds with solvothermal synthesis and standard Schlenk line technique—essential understanding across multiple characterization techniques like PXRD, UV-Vis, IR, and NMR.
View on Science: If you take all the information on science gathered through centuries, then destroy them altogether, within a couple of centuries, the lost information will come back as such – because in science, the same experiments give the same results. That is the best insight found so far towards science. The ability and space in science to question, improve, change, develop, collaborate, and grow up make it the ideal platform to prepare humankind to reach the goal of finding the purpose in this blue planet – a better and sustainable life.
Unique about my research: One of the most efficient hydrogen storage pathways is to convert it into ammonia. Green ammonia synthesis is yet to be ergonomically commercialized, and electrocatalysts have become the hot topic of the energy storage realm. The exploration of compounds for effective dinitrogen binding and N≡N bond activation is significant.