Electronic structure and electrochemical properties of 3-amino-2-cyclohexene-1-thiones

Journal Article · Mon Feb 09 23:00:00 EST 1987 · J. Gen. Chem. USSR (Engl. Transl.); (United States)

OSTI ID:5355041

Protasova, L E; Dolgunicheva, O Yu; Chuvashev, D D; Zakzhevskii, V G

Polarographic data for 3-amino-3-cyclohexene-1-thiones indicate the existence of dual reactivity and the possibility of prototropic tautomerism, which is determined by considerable conjugation and polarization in the enamino thione fragment. Calculation by the MNDO method showed that the enamino thione form is most stable. The spectral properties of the real molecules are best described by a dipolar model, which is in good accord with the polarographic behavior of the compounds investigated.

• Research Organization: Irkut-sk Institute of Organic Chemistry (USSR)
• OSTI ID: 5355041
• Journal Information: J. Gen. Chem. USSR (Engl. Transl.); (United States), Journal Name: J. Gen. Chem. USSR (Engl. Transl.); (United States) Vol. 56:8; ISSN JGCHA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
640302 -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
ABSORPTION SPECTRA
ALKENES
AMINES
CHEMICAL REACTIONS
CHEMISTRY
COMPUTERIZED SIMULATION
CYCLOALKENES
ELECTROCHEMISTRY
ELECTRON DENSITY
ELECTRON TRANSFER
ELECTRONIC STRUCTURE
ENERGY-LEVEL TRANSITIONS
HYDROCARBONS
ISOMERIZATION
MECHANICS
MOLECULAR STRUCTURE
ORGANIC COMPOUNDS
ORGANIC SULFUR COMPOUNDS
ORIENTATION
OSCILLATOR STRENGTHS
POLAROGRAPHY
QUANTUM MECHANICS
SIMULATION
SPECTRA
SPIN ORIENTATION
STABILITY