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

V. Krishnakumar*, R. Ramaswamy† and A. Natarajan‡

Post Graduate Department of Applied Physics,Nehru Memorial College, Puthanampati-621 007, India

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

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  • Asian J. Chem. /
  •  2000 /
  •  12(2) /
  •  pp 343-348