A NEW THEORETICAL PREDICTION OF THE INFRARED-SPECTRA OF CYTOSINE TAUTOMERS

被引：72

作者：

GOULD, IR

VINCENT, MA

HILLIER, IH

LAPINSKI, L

NOWAK, MJ

机构：

[1] UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCS,ENGLAND

[2] POLISH ACAD SCI,INST PHYS,PL-02668 WARSAW,POLAND

来源：

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY | 1992年 / 48卷 / 06期

关键词：

D O I：

10.1016/0584-8539(92)80075-8

中图分类号：

O433 [光谱学];

学科分类号：

0703 ; 070302 ;

摘要：

The infrared spectra of the cytosine amino-oxo and amino-hydroxy tautomers predicted theoretically at the ab initio Hartree-Fock level with a 6-31G** basis set are reported. These are compared with the experimental spectra obtained in an argon low-temperature matrix. The IR spectra computed at this level reproduce the experimental spectra closer than the previous predictions.

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页码：811 / 818

页数：8

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