Spectroscopic and quantum chemical studies of isocytosine

Journal Article · Fri Jul 01 00:00:00 EDT 1988 · Theor. Exp. Chem. (Engl. Transl.); (United States)

DOI:https://doi.org/10.1007/BF01392186· OSTI ID:6179876

Tulub, A A; Semenov, S G; Stetsenko, A I; Yudovich, E E

The methods of electronic and vibrational (IR) spectroscopy were used to study the spectral properties of isocytosine in H/sub 2/O, D/sub 2/O, chloroform, and hexane in a wide concentration interval. Quantum chemical calculations of tautomeric forms and dimers of isocytosine were carried out. The bands of the calculated and experimental spectra were assigned. The results of the quantum calculations were compared with the experimental data. The spectral bands were classified according to the type of tautomer or dimer to which they belong.

• Research Organization: Leningrad Univ. (USSR)
• OSTI ID: 6179876
• Journal Information: Theor. Exp. Chem. (Engl. Transl.); (United States), Vol. 24:1; Other Information: Translated from Teoret. Eksper. Khimiya; 24: No. 1, 29-36(Jan-Feb 1988)
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
CYTOSINE
INFRARED SPECTRA
ISOMERS
ATOMIC MODELS
ABSORPTION SPECTRA
CHLOROFORM
DIMERS
EXCITATION
EXCITED STATES
FORBIDDEN TRANSITIONS
HEAVY WATER
HEXANE
HYBRIDIZATION
IONIZATION POTENTIAL
LCAO METHOD
LINE WIDTHS
MOLECULAR ORBITAL METHOD
OSCILLATOR STRENGTHS
QUANTUM MECHANICS
SELF-CONSISTENT FIELD
SPIN
WATER
WAVE FUNCTIONS
ALKANES
AMINES
ANGULAR MOMENTUM
AZINES
CHLORINATED ALIPHATIC HYDROCARBONS
ENERGY LEVELS
ENERGY-LEVEL TRANSITIONS
FUNCTIONS
HALOGENATED ALIPHATIC HYDROCARBONS
HETEROCYCLIC COMPOUNDS
HYDROCARBONS
HYDROGEN COMPOUNDS
MATHEMATICAL MODELS
MECHANICS
ORGANIC CHLORINE COMPOUNDS
ORGANIC COMPOUNDS
ORGANIC HALOGEN COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
ORGANIC OXYGEN COMPOUNDS
OXYGEN COMPOUNDS
PARTICLE PROPERTIES
PYRIMIDINES
SPECTRA
657002* - Theoretical & Mathematical Physics- Classical & Quantum Mechanics