Spectroscopic and quantum chemical studies of isocytosine
Journal Article
·
· Theor. Exp. Chem. (Engl. Transl.); (United States)
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), Journal Name: Theor. Exp. Chem. (Engl. Transl.); (United States) Vol. 24:1; ISSN TEXCA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
657002* -- Theoretical & Mathematical Physics-- Classical & Quantum Mechanics
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
ABSORPTION SPECTRA
ALKANES
AMINES
ANGULAR MOMENTUM
ATOMIC MODELS
AZINES
CHLORINATED ALIPHATIC HYDROCARBONS
CHLOROFORM
CYTOSINE
DIMERS
ENERGY LEVELS
ENERGY-LEVEL TRANSITIONS
EXCITATION
EXCITED STATES
FORBIDDEN TRANSITIONS
FUNCTIONS
HALOGENATED ALIPHATIC HYDROCARBONS
HEAVY WATER
HETEROCYCLIC COMPOUNDS
HEXANE
HYBRIDIZATION
HYDROCARBONS
HYDROGEN COMPOUNDS
INFRARED SPECTRA
IONIZATION POTENTIAL
ISOMERS
LCAO METHOD
LINE WIDTHS
MATHEMATICAL MODELS
MECHANICS
MOLECULAR ORBITAL METHOD
ORGANIC CHLORINE COMPOUNDS
ORGANIC COMPOUNDS
ORGANIC HALOGEN COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
ORGANIC OXYGEN COMPOUNDS
OSCILLATOR STRENGTHS
OXYGEN COMPOUNDS
PARTICLE PROPERTIES
PYRIMIDINES
QUANTUM MECHANICS
SELF-CONSISTENT FIELD
SPECTRA
SPIN
WATER
WAVE FUNCTIONS
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
ABSORPTION SPECTRA
ALKANES
AMINES
ANGULAR MOMENTUM
ATOMIC MODELS
AZINES
CHLORINATED ALIPHATIC HYDROCARBONS
CHLOROFORM
CYTOSINE
DIMERS
ENERGY LEVELS
ENERGY-LEVEL TRANSITIONS
EXCITATION
EXCITED STATES
FORBIDDEN TRANSITIONS
FUNCTIONS
HALOGENATED ALIPHATIC HYDROCARBONS
HEAVY WATER
HETEROCYCLIC COMPOUNDS
HEXANE
HYBRIDIZATION
HYDROCARBONS
HYDROGEN COMPOUNDS
INFRARED SPECTRA
IONIZATION POTENTIAL
ISOMERS
LCAO METHOD
LINE WIDTHS
MATHEMATICAL MODELS
MECHANICS
MOLECULAR ORBITAL METHOD
ORGANIC CHLORINE COMPOUNDS
ORGANIC COMPOUNDS
ORGANIC HALOGEN COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
ORGANIC OXYGEN COMPOUNDS
OSCILLATOR STRENGTHS
OXYGEN COMPOUNDS
PARTICLE PROPERTIES
PYRIMIDINES
QUANTUM MECHANICS
SELF-CONSISTENT FIELD
SPECTRA
SPIN
WATER
WAVE FUNCTIONS