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Indian Journal of Pure & Applied Physics (IJPAP) >
IJPAP Vol.44 [2006] >
IJPAP Vol.44(09) [September 2006] >
| Title: | Vibrational spectra and thermodynamics of biomolecule: 5-chlorocytosine |
| Authors: | Rastogi, V K
Palafox, M A
Lang, Kamil
Singhal, S K
Soni, R K
Sharma, Rekha |
| Keywords: | Vibrational spectra
5-chlorocytosine
Laser Raman spectra |
| Issue Date: | Sep-2006 |
| Publisher: | CSIR |
| IPC Code: | G01J3/28 |
| Abstract: | The laser Raman and
IR spectra of biomolecule 5-chlorocytosine have been recorded in solid phase.
The vibrational spectra have been analysed assuming planar geometry and Cs
point group symmetry for the molecule and observed fundamentals have been
assigned to different normal modes of vibrations. The studies indicate that the
features that are characteristic of the vibrational spectra of cytosine and its
derivatives are retained by the spectrum of 5-chlorocytosine and it exists in
amino-oxo form in solid phase. The validity of empirical relation νs = 345.5 + 0.876 νasym suggests the equivalence of the
two NH bonds of the NH2 group. The observed fundamental frequencies
are used to calculate the thermodynamic functions, namely, the enthalpy, entropy,
heat capacity and the free energy were also computed in the temperature range
200-1000K using the rigid-rotor harmonic oscillator approximation. For this
purpose, the fundamental wavenumbers obtained in the present study were taken,
while the structural parameters were taken from literature. |
| Page(s): | 653-660 |
| ISSN: | 0975-1041 (Online); 0019-5596 (Print) |
| Source: | IJPAP Vol.44(09) [September 2006]
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