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Vol. 12 No. 2 (2000): Vol 12 Issue 2

FTIR and Laser Raman Spectra, Vibrational Assignments and AB-initio Calculations of 6-Hydroxypurine

V. Krishnakumar
Post Graduate Department of Applied Physics,Nehru Memorial College, Puthanampati-621 007, India
R. Ramaswamy
Post Graduate Department of Applied Physics,Nehru Memorial College, Puthanampati-621 007, India
A. Natarajan
Post Graduate Department of Applied Physics,Nehru Memorial College, Puthanampati-621 007, India

Corresponding Author(s) : V. Krishnakumar

Asian Journal of Chemistry, Vol. 12 No. 2 (2000): Vol 12 Issue 2

Abstract

The FTIR and Raman spectra of 6-hydroxypurine were recorded
and all the 36 (25a' + 11a") normal modes of vibrations are assigned
assuming Cs point group symmetry. A complete vibrational analysis
is proposed based on predictions from ab-initio 3-21G calculations.
The vibrational assignments are supported by potential energy
distribution (PED) calculations.

Keywords

FTIR Laser Raman Spectra Vibrational Assignments AB-initio Calculations 6-Hydroxypurine
(1)
Krishnakumar, V.; Ramaswamy, R.; Natarajan, A. FTIR and Laser Raman Spectra, Vibrational Assignments and AB-Initio Calculations of 6-Hydroxypurine. ajc 2010, 12, 343-348.
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