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

fYear

1995

fDate

15-18 Feb 1995

Firstpage

26724

Lastpage

27089

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;

fLanguage

English

Publisher

ieee

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

Type

conf

DOI

10.1109/RCEMBS.1995.532983

Filename

532983