DR.P.T.Manoharan ,F.N.A., F.A.Sc., F.T.W.A.S., F.W.I.F,DST RAMANNA FELLOW

Tel:91-44-2257 4938/4935
Fax:91-44-2257 0509/0545
Room:SAIF 18
Email: ptm at



Currently Ramanna Fellow (DST) and an Honorary Professor (JNCASR,Bangalore)

Local treasurer of International EPR society; Fellow of the Indian National Science Academy, Fellow of the Indian Academy of Sciences, Fellow of the Third world Academy of Sciences and Fellow of the World Innovation Foundation, Member of several advisory and executive boards and committees of the Department of Science & Technology, Council of Scientific and Industrial Research and University Grants Commission, Indian Association for the cultivation of Science, Indian Institute of Science, Jawaharlal Nehru Centre for Advanced Scientific Research  Etc

Educational Details and Acheivements

  • Ph.D. with Harry B. Gray at Columbia University in 1966. Post doctoral fellowship with Max T. Rogers. Research Assistant professor and Research Associate at Michigan State University till 1969. Assistant professor at Indian Institute of Technology, Kanpur till 1972. Joined as associate professor at the Department of Chemistry at Indian Institute of Technology, Madras in 1972. Professor of Chemistry 1973-'95. Founder of the first and premier Regional Sophisticated Instrumentation Centre, at IIT Madras in 1974. Head of RSIC 1974-'81,1985-88, 1992-'95. First Dean of students of IIT Madras. Fulbright-Smith Mundt Fellow to the US; Visiting scientist at NIH/NIA (Bethesda), Visiting Professor at the University of Fribourg (Switzerland), the Katholieke Universiteit (Nijmegen, the Netherlands), University of Western Australia (Australia),Graduate College lecturer at the University of Stuttgart, INSA-Foreign Academy Exchange visitor To France, Hungary, Poland, DAAD short-time visitor to West Germany, Invited Scientist to National Biomedical ESR Centre (Milwaukee, Wisconsion), Senior Scientist Exchange Visitor to Japanese Institutions under DST/JSPS Exchange Programme. Indo-French Centre Visitor to the University de Versailles, Frnace; Editorial board member of Proceedings of the Academy of Sciences (chemical sciences) (1980-'89) and Indian Journal of Chemistry (1985-'89). Awarded INSA Rangadhama Rao Lecture on Spectroscopy; S.R. Palit Memorial Award in Physical Chemistry by IACS (1989); Prestigious FICCI Award in the field of Physical Sciences including Mathematics (1989); Morris Travers Lecture, IISC (1995); K.S.G. Doss Memorial Lecture, CECRI (1995); Sadhan Basu Memorial Award, INSA (1996);Professor Govindarajulu Endowment Lecture, University of Madras(2003); Professor Baliah Endowment Lecture, Annamalai University(2004); Mahatma Gandhi University Decennium Commemoration Lecture Award and Medal (2005); Lifetime Achievement Award in EPR Spectroscopy by the EPR 2005 Conference held in the Ohio State university; Vice Chancellor, University of Madras (1997-99), RC Chairman, RRL/T, a CSIR Institution, Secretary, INSA (1997-1999),Treasurer and Vice President, Chemical Research Society of India Journal(1999-2004); Founder of Green Canopy, an environmental Organization at the IIT/Madras; Referee for many international journals. Has published over 170 full papers in Journals of International Repute with High Impact Factor

Research Interests

  • Electron Paramagnetic Resonance
  • Magneto Chemistry
  • Mössbauer Spectroscopy
  • Structural Inorganic Chemistry
  • Bio-Inorganic Chemistry
  • Nuclear Magnetic Resonance
  • ESCA
  • Theoretical Chemistry
Our research covers the above topics. Electron Paramagnetic Resonance (EPR) of transition metal complexes in particular of first row-transition elements. Magneto chemistry and EPR of exchange coupled systems mainly involving copper and nickel complexes. EPR measurements coupled with optical spectroscopic studies reveal the molecular orbital coefficients,spin-orbit coupling. We study the shift and electronic relaxation properties of paramagnetic binuclear and polynuclear complexes which are magnetically coupled using NMR spectroscopy. Mössbauer spectroscopy of iron complexes down to liquid helium temperatures are useful to understand the oxidation state of iron. Crystal structure of coordination complexes coupled with spectroscopic data allow precise determination of molecular properties. Bio-inorganic chemistry of hemoglobin and hemetoporpherins is one of our interests to understand the mechanism hemoglobin in biology.

Some recent works

  • Ch.Balagopalakrishna, P.T. Manoharan, Omoefe Abugo and J. Rifkind, The Production of Superoxide from hemoglobin Bound oxygen under hypoxic condition, Biochemistry, 35, 6393-6398 (1996)
  • R. Bruyudonckx,C.Daul,P. T. Manoharan, E. Dreiss, A nonemperical approach to the ground-state Jahn-Teller distortion: Case Study of VCl4, Inorg.Chem. 36, 4251-4256(1997)
  • T. K. Kundu and P. T. Manoharan, Dynamic and Static Jahn-Teller Distortions in a Macrobicyclic Nitrogen Cage Complex of Ag(II), Chem. Phys. Lett. 264 (1997) 334-338
  • A.Asokan, B. Varghese, A. Caneschi and P.T. Manoharan, A Novel Polymer of BinuclearNickel(II) Complex Bridged by 1,3-diaminopropane - Structure and Magnetism, Inorg. Chem. 37, 228-232 (1998)
  • B. Venkatesh, J. M. Rifkind and P. T. Manoharan, Hybrid Hemoglobins, Progress in Inorg. Chem. (Ed. K. D. Karlin, John Wiley & Sons, Inc.) vol.47, 563-684 (1998)
  • P. Manikandan, B. Varghese, M.S. Moni and P.T. Manoharan, Ligand Dynamics in Tetracoordinate Copper(I) Complexes of Bis(pyrazolyl)pyridine Ligands, J. Chem. Soc., Dalton Trans. 3219-3225 (1998)
  • C. Balagopalakrishnan, O.O. Abugo, J. Harsky, P.T. Manoharan, E. Nagababu and J.M. Rifkind, Superoxide produced in the heme pocket of a b-chain of hemoglobin reacts with b-93 cystein to produce a thiyl radical, Biochemistry, 37, 13194-13202, (1998).
  • T.K. Kundu, Raf Bruyndonckx, C. Daul and P.T. Manoharan, A Density Functional Approach to the Jahn-Teller Effect of [Cu(en)3]2+ as Model for a Macrobicyclic Cage Complex of Copper(II), Inorg. Chem., 38, 3931-3934, (1999).
  • A. Asokan and P. T. Manoharan, 1H-NMR Studies on Strongly Antiferromagnetically Coupled Dicopper(II) Systems, Inorg. Chem. (1999) 38, 5642-5654.
  • A. Asokan, Babu Varghese and P. T. Manoharan, Synthesis, Structure, Magnetic and 1H-NMR Studies on Moderately Antiferromagnetically Coupled Binuclear Dicopper(II) Complex, Inorg. Chem., (1999) 38, 4393-4399.
  • T. K. Kundu and P. T. Manoharan, Variable Temperature EPR, Optical and Magnetic Studies of a Macrobicyclic Cage Complex of Cu(II) in Pure and Zinc-Doped Systems: Evidence for a Jahn-Teller Distortion, Mol. Phys., 97, 709-720, (1999).
  • T.K.Kundu and P.T. Manoharan, Presence of Jahn-Teller distortions in a novel six-coordinate Ag(II) complex: temperature dependent EPR, optical and magnetic susceptibility measurements, Mol. Phys. (2000), 98, 2007-2019.
  • P.Manikandan,R.Mthukumaran,K.R.Justin Thomas, B.Varghese, G.V.R.Chandramouli and P.T.Manoharan, Copper(II)-Azide Complexes of Aliphatic and Aromatic Amine Based Tridendate Ligands:Novelty in Structure, Spectroscopy and Magnetic Properties, Inorganic Chemistry, 40, 2378-2389(2001)
  • P.Manikandan, K.Padmakumar, K.R.Justin Thomas, B.Varghese, H.onadera and P.T.Manoharan, Lattice Dictated Conformers in Bis(pyrazolyl)pyridine Based Iron(II) complexes: Mossbauer, NMR and Magnetic Studies, Inorganic Chemistry 40, 6930-6939 (2001)
  • Swarnalatha, V., G. Balakrishnan, and P .T. Manoharan. (2001) Resonance Raman Spectra of Copper reconstituted Hemoglobins – A probe of Subunit heterogeneity. Biospectroscopy , 67,156-166 (2002).
  • M.Buchs, C.A.Daul, P.T.Manoharan and C.W. Schlapfer , Density Functional Study of Nitroprusside: The mechanism of Photochemical Formation and Deactivation of the Metastable States, Int. .Journal of Quantum Chemistry 91, 418-431 (2002)
  • V.Swarnalatha, S. Deepthi,V Pattabhi and P.T.Manoharan, Crystal Structure of nickel reconstituted hemoglobin, Current Science, 84,179-187 (2002,)
  • K.Padmakumar,T.Pradeep, J.Ensling, P.Gutlich and P.T.Manoharan, Magnetic and Spectroscopic Studies of a Soft Ferromagnet: Ferricinium TetrabromoFerrate(III),[Fe(C5H5 )2]+ [FeBr4 ] - , Ind.J.Chem. 42A, 2359-2370 (2003)
  • Tapan K.Kundu, G.V.R.Chandramouli and P.T.Manoharan, Magneto-structure Correlation in di-mBridged Dicopper Complexes—Predictability of Isotropic Exchange coupling Constant from Structure , Aus. J.Chem.(2003) 1239-1248
  • B.Venkatesh, S.Ramasamy, R.Asokan, J.M.Rifkind and P.T.Manoharan, pH Influenced Metal Ion Coordination Changes in Reconstituted Hemoglobin, Journal of Porphyrins and Pthalocyanains 7, 637-644 (2003) 
  • Rifkind, J.M., Ramasamy, S., Manoharan, P.T., Nagababu, E., Mohanty, J.G.: Redox reactions of hemoglobin, Antioxidant & Redox Signaling (2004) 6,657-666
  • V.Swarnalatha and P.T.Mnaoharan., Conformational Changes Monitored by Fluorescence Study on Reconstituted Hemoglobins, Spectrochimica Acta Part A, (2004) 60, 2523-2526
  • M.Rajesh, N.Sulochana, S.Ramakrishnan, J.Biswas and P.T.Manoharan, Iron Chelation Abrogates Excessive Formation of Hydroxyl Radicals and Lipid Peroxidation Products in Monocytes of Patients With Eale’s Disease in Vitro: Direct Evidence Using Electron Spin Resonance Spectroscopy, Current Eye Research (2004) 28(6), 399-407.
  • P.Thangadurai, S.Ramasamy and P.T.Manoharan, 207Pb MAS NMR and Conductivity Studies on Nanostructured Superionic Conductor Lead (II) Fluoride, Eur. J. Phys.B.(2004) 37,425-432
  • B.Venkatesh, S.Swarnalatha, J.Santhanalaksmi, J.M.Rifkind and P.T.Manoharan, Studies on Heme release from normal and metal-ion reconstituted hemoglobin mediated through ionic surfactant, Bioploymers (Peptide Science) (2004) 80, 18-25
  • S. Ramasamy†, Swarnalatha Venkateshrao†, J.M. Rifkind$ and P.T. Manoharan, Metal Ion Coordination in ‘R’ and ‘T’ State Hybrid Hemoglobins as revealed by optical, EPR and Sulfhydryll Reactivity Studies, J.Chem.Sc.(2005), 117, 85-97
  • R.Muthukumaran†, G.V.R.Chandramouli and P.T.Manoharan , Intra- and Inter- modular , Exchange Interactions inBis( alphaaminoisobutyrato)oxalamidedicopper,[Aib-COCO-Aib]Cu2, Chem. Phys. Lett., (2005) 404, 227-231.
  • P.Thangadurai, S.Ramasamy, TK.Kundu and P.T.Manoharan, EPR study and extraction of a-phase , EPR spectra in Mn2+ doped nanocrystalline PbF2,Eur.Phys.J. B(2005), 44, 447-454
  • T.K.Kundu and P.T.Manoharan, , ahn-Teller Effect In Copper(II) Systems, Proc.Ind.Nat.Sci.Acad.(2005) 70 A, 739-770
  • Swarnalatha VenkateshRao, B. Venkatesh and P.T.Manoharan, Studies on Nitrosyl Hemes in Ni(II)-Fe(II) hybrid hemoglobins, Nitric Oxide: Biology and Chemistry (2005)
  • Swarnalatha VenkateshRao, B. Venkatesh and P.T.Manoharan, Studies on Nitrosyl Hemes in Ni(II)-Fe(II) hybrid hemoglobins, Nitric Oxide: Biology and Chemistry (2005)
  • C. Enachescu, E.Codjovi, F.Varret, S. Floquer, P.Manikandamn and P.T.Manoharan, Photo-Excitation and Relaxation Properties of a Spin Crossover of High Spin Stable State, J.Phys.Chem.B (2006)110, 5883-5888.
  • R.P.Pandian, P.Woodward, J.L.Zweier, P.T.Manoharan and P.Kuppusamy Open Molecular Framework in Lithium Octabutoxy-phthalo-Cyanine Para-magnetic Crystal: Implications for the detection of Oxygen and Nitric Oxide by EPR Spectroscopy, J.Magnetic Materials (2006) Under final review.
  • R.P.Pandian, D.Vinh, J.L.Zweier, P.T.Manoharan and P.Kuppusamy, Effect of nitrogen dioxide on the EPR property of lithium-octa-n-butoxy 2,3-naphthalocyanine (LiNc-BuO) microcrystals, J.Mag.Res. (2006) in press

Trained 36 Ph.D. Scholars, 24 Post-doctoral Fellows including one from Germany and nearly 30 M.Sc. Scholars, taught hundreds of Undergraduates and postgraduates, published over 170 research papers in journals of high impact factors, had given a couple of hundred lectures in various Universities and Institutions abroad and in India, been a visiting Professor or a Visiting Scientist in most reputed Institutions across the globe and visited a lot of countries in the Americas, Europe, Asia, Africa, and Australia on academic and scientific work and on conferences, and had executed many research schemes from the DST, CSIR, UGC and the NIH(USA)


Theoretical calculations of transition metal complexes is another approach to quantitate the observations in a systematic manner. We are currently involved in use of various methods beginning from hand calculations based on ligand fields, molecular orbital calculations like EHMO, MINDO, Density functional, X-a methods. ESCA studies of nickel and copper complexes of maleonitrile dithiolates reveal the binding energies of various energy levels in the molecule. The above are planar complexes containing extended interactions between molecules. We study both PES and UV-PES spectra to understand the electronic properties. Another area of interest is synthesis, spectroscopy and electrochemical studies of hetero atom substituted metalloporphyrins. We study the stabilization of different oxidation states of homo and heterometallic porphyrins. The metal ions used are copper, nickel and iron. Interaction of Nitric Oxide with Vitamin B12 in the presence and absence of agents like glutathione.

List of Publication

  1. P. T. Manoharan and Walter C. Hamilton, The crystal structure of sodium nitroprusside, Inorg. Chem., 2, 1043-47 (1963).
  2. H. B. Gray and P. T. Manoharan, Electronic structures of some transition-metal nitrosyl complexes, Chem. Commun., 62 (1965) [1 page].
  3. P. T. Manoharan and H. B. Gray, Electronic structure of nitroprusside ion, J. Am. Chem. Soc., 87, 3340 (1965) [9 pages].
  4. P. T. Manoharan and H. B. Gray, Electron spin resonance study of Mn(CN)5NO2- in a single crystal, Chem. Commun., 324 (1965) [2 pages].
  5. P. T. Manoharan and H. B. Gray, Electronic structures of metal pentacyanonitrosyls, Inorg. Chem., 5, 823 (1966) [17 pages].
  6. P. T. Manoharan H. A. Kushka and Max T. Rogers, Nitrogen hyperfine splittings in the electron spin resonance spectrum of the Cr(NH3)5NO2+ ion, J. Am. Chem. Soc., 89, 4564 (1967) [2 pages].
  7. P. T. Manoharan and M. T. Rogers, ESR study of VOF53- ion, J. Chem. Phys., 49, 3912 (1968) [7 pages].
  8. P. T. Manoharan and Max T. Rogers, Ligand hyperfine interactions in molybdenyl and chromyl halide complexes, J. Chem. Phys., 49, 5510 (1968) [10 pages].
  9. P. T. Manoharan and Max T. Rogers, ESR study of copper(II) and silver(II) Tetraphenylporphyrin, in "ESR of transition metal chelates", T. F. Yen (ed.), Plenum press, 143 (1969) [31 pages].
  10. P. T. Manoharan and Max T. Rogers, ESR investigation of some o-phenylene- bis(dimethylarsine) complexes of cobalt and nickel, J. Chem. Phys., 53,1682 (1970) [4 pages].
  11. P. T. Manoharan, Applications of molecular orbital theory to inorganic complexes, Proc. DAE Symp. Vol. I, 61 (1970) [13 pages].
  12. P. T. Manoharan and P. Ganguli, Electronic structure of chromium(I) nitrosyls, Chem. Phys. Lett., 11, 281 (1971) [4 pages].
  13. M. M. Taqui Khan, (Miss) R. K. Andal and P. T. Manoharan, Activation of molecular oxygen, hydrogen, carbon monoxide and olefins by a ruthenium(II) complex, Chem. Commun., 561 (1971) [1 page].
  14. P. T. Manoharan, S. S. Kaliraman, V. G. Jadhao and R. M. Singru, Mossbauer spectra of cubic hexanitroferrates, Chem. Phys. Lett., 13, 585 (1972) [4 pages].
  15. V. S. Tomar, P. Ganguli, H. D. Bist and P. T. Manoharan, Jahn-Teller distortions and optical phonons in hexanitrocuprates, Proc. Symp. Nucl. Phys. and Solid State Phys., 14C, 541 (1972) [4 pages].




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