Title :
Bond and molecular polarizabilities in the structural studies of cytosine and its substituents
Author :
Subbaiah, D.V. ; Sastr, M.S. ; Murthy, V.R.
Author_Institution :
Dept. of Phys., Sri Krishnadevaraya Univ., Anantapur, India
Abstract :
Bond and molecular polarizabilities of cytosine and a few of its substituents are determined by force field technique and δ-function potential model. Interestingly, the longitudinal bond polarizability coefficients of C4-C5, C5-CH3 bring out the aromatic nature of the C5 X-ray and NMR observations, quantum chemical calculations and UV photoelectron studies are discussed in relation to this. The agreement is satisfactory
Keywords :
biological NMR; bonds (chemical); molecular biophysics; molecular configurations; organic compounds; polarisability; quantum chemistry; ultraviolet photoelectron spectra; δ-function potential model; C4-C5; C5-CH3; NMR observations; UV photoelectron studies; X-ray observations; aromatic nature; cytosine structural studies; force field technique; molecular polarizability; quantum chemical calculations; Bonding; Electrons; Polarization;
Conference_Titel :
Engineering in Medicine and Biology Society, 1995 and 14th Conference of the Biomedical Engineering Society of India. An International Meeting, Proceedings of the First Regional Conference., IEEE
Conference_Location :
New Delhi
Print_ISBN :
0-7803-2711-X
DOI :
10.1109/RCEMBS.1995.532983
