Summary - Department of Chemistry,Indian Institute of Technology Roorkee

Department of Chemistry was established in the year 1960 and has contributed significantly to the growth of chemical sciences in the Institute. Distinguished faculty members of the department provide an environment where the students of B. Tech., M. Tech., M. Sc.  and Ph.D. programs  could explore and develop frontier areas of chemistry. General areas covered include physical, organic, inorganic, analytical and material chemistry. Faculty members are also involved in interdisciplinary research. The department is aiming to become one of the major centers for teaching and research in chemical sciences in India.

            The department is equipped with state-of-the-art facilities like UV-Vis, UV-Vis-NIR,  FT-IR, GC, GC-Mass, ESI-MS,  400 MHz NMR, HPLC, AAS, elemental analyzer, flame photometer, cyclic voltammeter, LC-MS-MS, Raman spectrometer, surface area analyzer, rheometer, VSM, dynamic light scattering set-up, advance electrochemical system and microwave synthesizer to provide academic as well as industry oriented training to the post-graduate and Ph.D. students. The department took several initiatives for the betterment of its teaching and research facilities which included an overall revamp of the syllabus of post graduate courses keeping in mind the development in the respective areas in recent years and placement prospects for the post graduate students in international top notch academic/research institutions and industries.  The faculty members themselves visited a number of institutions and participated/ delivered talks in seminar/ symposia / conferences at various platforms. During April 2015-March 2016 faculty members have published 164 research papers in refereed journals and more than 67 research papers have been presented in various conferences/ symposia. A large number of students of the department have qualified NET-CSIR-JRF, UGC- JRF,GATE and other national level competitions. Moreover, few students participated in summer projects abroad in prestigious organizations. The department also hosted a successful International conference and a workshop during this period. 

Major Sponsored Research Schemes and Consultancy Projects (Rs. 20 lacs) (2015-16)

Prof. M. R. Maurya

Summary of the new project “Synthesis, characterization, reactivity and catalytic aspects of vanadium complexes” sponsored by SERB

The vanadate-dependent-haloperoxidase enzymes (VHPO) and the covalent bonding of the imidazole moiety of histidine residue through Nɛ to vanadate in the active site stimulated the design of structural models. The chemistry of the vanadium is demonstrated by oxidation states V(IVV) and V(V) which are associated with a variety of cores such as [VO]2+, [VO]3+, [VO2]+, [V2O3]n+ (n = 2, 3, 4), [V2O4]2+, emphasizing the influence of the reaction conditions like the nature of ligands, type of solvents, pH of the reaction medium etc.

Major objectives of the proposed research programme are the development of methodologies to prepare oxidovanadium(IV), oxidovanadium(V), dioxidovanadium(V) and oxidoperoxidovanadium(V) complexes with the chelating ligands having O, N and/ or S donor atoms, characterization of these complexes by various physico-chemical methods including single crystal X-ray study and generation / isolation of intermediate species proposed for haloperoxidases and their characterization by UV-vis, EPR and 51V NMR. Investigation of the property and reactivity of the isolated complexes would provide understanding of the chemistry of vanadium related to the biological systems. Catalytic activity of complexes would provide knowledge on the catalytic ability of the vanadium complexes. Further, the identification of the active species involved during catalytic action would help in proposing suitable reaction mechanism for the catalytic actions shown by these complexes.


Dr. R.K. Peddinti

Summary of the new project “Dearomatization of Phenols into Benzoquinone Derivatives: Rapid Access to Bicyclo[2.2.2]octenones, Phenoxazines and other Heterocyclic Systems”sponsored by SERB

The project is aimed at the synthesis of novel bicyclo[2.2.2]octenone derivatives via Diels–Alder reaction of benzoquinone monoketals generated in situ by hypervalent iodine reagents mediated oxidation of the corresponding guaiacol derivatives. Another objective is to generate o-benzoquinone monoimides with hypervalent iodine reagents and Michael-type addition of o-aminophenols to produce phenoxazine derivatives. The in situ generated o-benzoquinone monoimides will also be treated with o-phenylenediamines and o-aminothiopehnols to synthesize phenazine derivatives and phenthiazine derivatives. This protocol will be tested for the synthesis of various biologically active phenoxazine derivatives including bezerramycins A–C, chadrananimycin D, grixazones A and B, questiomycin A, and glucosylquestiomycin.


Dr. K.R. Justin Thomas

Summary of the new project “Organic materials containing heterocyclic building blocks”sponsored by CSIR

Synthesis and characterization of a series of organic materials featuring fused-ring heteroaromatic donors and π-linkers are proposed. The chromophores such as 10,11-dihydro-9H-thieno[3'',2'':3',4']cyclopenta[1',2':4,5]thieno[3,2-b]thieno[3'',2'':3',4']-cyclopenta[1',2':4,5]thieno[2,3-d]pyrrole, 1H-dithieno[3',2':3,4;2'',3'':5,6]benzo[1,2-d]imidazole and the other linkers proposed in this work remain unexplored. Rigid rod-like materials developed using these building blocks are expected to display unique photophysical and electrochemical properties suitable for their application in electronic devices such as photovoltaics and organic light-emitting diodes. By varying the acceptor strength and the nature of the conjugating linker, it is hypothesized to arrive at dyes showing intense red-shifted absorption properties. In view of significant interest in the development of conjugated materials possessing excellent acceptor properties to replace the fullerene acceptors (PCBM derivatives) widely used in bulk heterojunction solar cells, we also intend to prepare naphthalimide-based derivatives featuring the newly developed heteroaromatic linkers possessing moderate electron-withdrawing capability. These materials are expected to function effectively as electron acceptors in hetero-junction solar cells.


Dr. A. Sharma

Summary of the new project entitled, “Rationale guided Design and preparation of novel anti-Tuberculosis chemotherapeutic agents through contemporary Synthetic interventions”sponsored by OSDD

The entitled project provides an easy access to some very important class of heterocyclic scaffolds, imidazoazines through an isocyanide based novel multi component cascades. If successful, the methods can be used to generate libraries of the above compounds which can be then analyzed for their biological applications.


Summary of the new project entitled,“Copper catalyzed Novel bond forming strategies for potent Therapeutic Heterocyclic scaffolds”sponsored by SERB

Novel copper catalysed methodologies for the synthesis of dibenzothiazepine and their post condensation MCR sequences will be developed. Use of new copper compounds and ligand combinations to prescribe synthetic accesses to novel heterocycles and their C-H activated arylations will be explored. The potential applications (therapeutic or others) of the synthesized molecules molecule will be developed in future.


Dr. K.K. Sadhu

Summary of the new project“Development of fluorescence based selective chemical sensor for Magnesium ion under physiological condition” sponsored by SERB

In order to understand cell physiology,selective detection of biologically importantcations such as Na+, K+, Mg2+, and Ca2+isextremely important. It is important to monitor the Mg2+ ion concentration in the living cells as well as its distribution in subcellular area.So far, there are only few reports of Mg2+-responsive fluorescent probes based on bidentate, tridentate and tetradentate ligands. However, these probes have suffered from one of two major shortcomings, which are low dissociation constant or poor fluorescence response in aqueous medium. Thus the finding of selective Mg2+ sensor at physiological condition remains challenging.


Dr. P. Kar

Summary of the new project “Novel molecular design for Dye Sensitized solar cell” sponsored by CSIR

 The main objective was to synthesize a class of new heteroleptic ruthenium polypyridyl complexes and to characterize by various method. An interfacial electron transfer study is performed to investigate the electrnic behaviour in the excited state and theoretical studies is also performed.

Summary of the new project “Small Molecules for Solution Processed Organic Solar Cell” sponsored by SERB

Main objective of this project was to synthesize and characterize a new class of planar dithionopyrrole based oligothiophenes. Further To develop a new class of fused oligomers and characterize these novel class of oligothiophene to investigate the solar cell efficiencieswas another challenge . A group of small organic molecules are synthesized and detail characterization is done. Theoretical investigation is also performed. 

Major Sponsored Research Schemes and Consultancy Projects (2014-15)

Prof. Anil Kumar

Synthesis of Biotemplated Colloidal Nanostructures of Iron Oxide(s) - Analysis of Correlation between their Morphologies and Properties: We propose to develop new biotemplated colloidal iron oxide nanostructures of varied morphologies and dimensionalities. This work would also involve the synthesis of integrated nanocomposites for enhancing their physicochemical properties. Their sol-gel transformation will be analyzed by recording their viscoelastic behavior along with optical and magnetic properties. A coorelation between their properties and morphologies will also be analyzed.

Dr. Kaushik Ghosh

Synthesis and characterization of novel ruthenium nitrosyl complexes and their biological activity studies


There has been considerable current interest in studies on the interaction of nitric oxide (NO) with transition-metal complexes. In 1998 Nobel prize was given for the research in NO.  Nitric oxide, a diatomic radical species, is an important signaling molecule in a variety of biological processes such as vasodilatation, immune response, neurotransmission, apoptosis, etc. in different cells and tissues. In biosystems, NO is synthesized by nitric oxide synthase (NOS) enzyme and several concentration-dependent activities of NO were discovered. Hence, a particular amount of and target specific delivery of nitric oxide and scavenging of nitric oxide by transition-metal complexes are important areas in chemical research. Complexes which could deliver NO upon illumination with light are important for photodynamic therapy (PDT). We are trying to synthesize such molecules which would be useful for PDT.

Dr. Kaushik Ghosh

Chemistry of non-innocent ligands: Synthesis of phenoxyl radical and related complexes and their applications:


Galactose oxidase (GO) is a mononuclear copper enzyme that catalyzes the two-electron oxidation of a large number of primary alcohols to their corresponding aldehydes, coupled with the reduction of dioxygen to hydrogen peroxide.   Cu (II) and tyrosyl radical, the intermediate state is extremely important for the conversion of primary alcohol to aldehyde. Complexes having ligands containing phenolato donors are extremely important for several biological activities like nuclease, protease, catacholase etc. We are exploring the nonn-innocent behavior of phenolato function and studying bioinorganic coordination chemistry.  

Dr. Tapas Kumar Mandal


Catalytic oxidation of nitrogeneous aromatic compounds containing wastewater: The main objective of this research is to investigate the applicability and effectiveness of impregnated mesoporous catalysts (SBA-15 & MCM-45) for catalytic oxidation of nitrogenous organic wastewater. Specific objectives were to prepare SBA-15 & MCM-45 and immobilize metal ions (Zr, Ce, Co, Cu and V) on them. To characterize the prepared catalyst by their physical (such as, surface area, pore size, pore size distribution, pore volume) and chemical (composition, structure and morphology etc.) properties. To study the oxidation of nitrogenous organic wastewater with metal loaded SBA-15 composite catalyst using air or oxygen as oxidant at sub-critical and supercritical conditions.


Dr. Anuj Sharma

OSDD project entitled, “Rationale guided Design and preparation of novel anti-Tuberculosis chemotherapeutic agents through contemporary Synthetic interventions.”

The entitled project provides an easy access to some very important class of heterocyclic scaffolds, imidazoazines through an isocyanide based novel multi component cascades. If successful, the methods can be used to generate libraries of the above compounds which can be then analysed for their biological applications.


Dr. Pallavi Debnath

Theory and Mechanism of Polymer Melt Dynamics: In this proposal we propose a many chain formulation for the dynamics of entangled polymer systems. First the mechanism of anomalous dynamics of entangled polymer melts will be explored by thorough analysis of united atom molecular dynamics (UA-MD) simulation trajectories in the light of the fact that polymer liquids are dynamically heterogeneous even far from their glass transition, due to the interplay between excluded-volume interactions and chain connectivity. With the insights from this study a microscopic theory of entangled polymer melts will be developed based on the Generalized Langevin Equation for cooperative dynamics that includes entanglement points as additional slow variables. Finally the dynamics from the resulting theory will be tested with UA-MD simulation data for entangled melts, specifically the scaling of transport coefficients with molecular weight.


Dr. Kalyan Sadhu

Metal ion assisted artificial base pairing: an alternative approach for the nucleic acid templated chemistry: Introduction of metal ion in the artificial base pairing can be used in absentia of the natural nucleic acid base pairings in the double helical structure of the nucleic acids. The newly joined Ph.D. student in the PI’s group has started working on this project from January 2015. He has already synthesized some of the starting materials required for this project. We bought some DNAs for the study of nucleic acid templated chemistry. In the next step, the modifications of those DNAs with our probe are essential to study the effect of metal ion in the mismatch base pairing.




  • Synthesis and Analytical Application of Polydentate Macrocycles as Chemical Sensor. PI: A. K. Singh (DRDO).


The two chromium chelates of Schiff bases, N-(acetoacetanilide)-1,2-diaminoethane (L1) and N,N´-bis(acetoacetanilide)-triethylenetetraammine (L2), have been synthesized and explored as neutral ionophores for preparing PVC based membrane sensors selective to Cr (III). The addition of lipophilic anion excluder (NaTPB) and various plasticizers viz. o-NPOE, DOP, DBP, TEHP, and BA have found to improve the performance of the sensors. The best performance was obtained for the membrane sensor having a composition of L1: PVC: DBP: NaTPB in the ratio 5:150:250:3 (w/w). The sensor exhibits Nernstian response in the concentration range 8.9 *10-8 – 1.0 *10-1 M Cr3+ with limit of detection 5.6 *10-8 M. The proposed sensor manifest advantages of relatively fast response (10s) and good selectivity over some alkali, alkaline earth, transition and heavy metal ions. The selectivity behavior of the proposed electrode revealed a considerable improvement as compared to the best previously PVC-membrane electrode for chromium (III) ion. The potentiometric response of the proposed sensor was independent of pH of the test solution in the range of 2.0-7.0. The sensor has found to work satisfactorily in partially non-aqueous media up to 20% (v/v) content of methanol, ethanol and acetonitrile and could be used for a period of 3 months. The proposed electrode was used as an indicator electrode in potentiometric titration of chromium ion with EDTA and in direct determination in different water and food samples.

  • Synthesis of pyrimidine and thiazoline derivatives and their evaluation for antiinflammatory activity. PI : Prof. S. M. Sondhi (CSIR).

In this project various pyrimidine and thiazoline derivatives have been /are synthesized followed by their characterization and screening for anti inflammatary activity

# # # # # | # # #
Credits : Information Management Group, IIT Roorkee
Copyright © , All Rights Reserved, Institute Computer Centre, IIT Roorkee.