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Indian Journal of Pure & Applied Physics Vol. 46, March 2008, pp. 155-161 Vibrational spectra and normal coordinate analysis of structure of procarbazine S Gunasekaran*, S Kumaresan + , S Seshadri ‡ & S Muthu ж *Spectrophysics Research Laboratory, Department of Physics, Pachaiyappa’s College, Chennai 600 030 + Department of Physics, Arulmigu Meenakshi Amman College of Engineering, Vadamavandal 604 410 ‡ Department of Physics, Sri Chandrasekharendra Saraswathi Viswa Maha Vidyalaya, Enathur, Kanchipuram 631 561 ж Department of Applied Physics, Sri Venkateswara College of Engineering, Sriperumbudur 602 105 E-mail : [email protected] Received 25 September 2006; revised 26 December 2007; accepted 11 January 2008 Procarbazine (C 12 H 19 N 3 O) is chemically known as N-(1-methylethyl)-4-[N ′ -(methylhydrazino) methyl] benzamide. It is used as an anti-neoplastic agent. Fourier Transform infrared (FTIR) and Fourier Transform Raman (FTR) spectra of procarbazine have been used for molecular investigation. A detailed vibrational analysis has been made on the fundamental modes of vibration. A normal coordinate analysis (NCA) has been carried out on procarbazine using the Wilson’s F-G matrix method. A set of potential constants has been evaluated using the method of kinetic constants on the basis of C S point group symmetry. The methyl groups are considered as point masses for simplicity. To check whether the chosen set of vibrational frequencies contributes maximum to the potential energy associated with the normal coordinates of the molecule, potential energy distribution (PED) has been evaluated. Keywords : Fourier transform infrared spectrum, Fourier transform Raman spectrum, Procarbazine, Normal coordinate analysis, Potential energy distribution 1 Introduction Procarbazine is the derivative of hydrochloride salt of a methyl hydrazine. It has antineoplastic and mutagenic activities, appears to inhibit the transmethylation of methionine into transfer RNA ( t - RNA), thereby preventing protein synthesis and consequently DNA and RNA synthesis. This agent