PMID: 1182182Nov 4, 1975Paper

Barrier to rotation and conformation of the NB2 group in cytosine and its derivatives. Part I. Theoretical study of cytosine.

Biochimica Et Biophysica Acta
M Geller, B Lesyng

Abstract

A theoretical investigation of the conformation of the amino group in cytosine has been performed by the CNDO/2 and INDO methods. The results suggest that from the energetical point of view the conformation of the amino group is not stable in the course of rotation. It changes its hybridization from sp2-like in the planar case to sp3-like in the transition state. The physical basis of the barrier to rotation of this group around the C4-N7 bond are discussed. Some comments on the solvent dependence of the electronic absorption spectra of cytosine are presented.

References

Aug 1, 1972·Proceedings of the National Academy of Sciences of the United States of America·M Raszka, N O Kaplan
Jun 18, 1971·Biochemical and Biophysical Research Communications·R R ShoupH T Miles
Jan 1, 1971·Biopolymers·W C JohnsonJ C Girod

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Citations

May 10, 2013·PLoS Computational Biology·Janusz M Bujnicki, Jerzy Tiuryn
Aug 1, 1984·Journal of Biomolecular Structure & Dynamics·B HingertyW Saenger

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