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Journal of Molecular Structure: THEOCHEM

Volumn 535, Issue 1-3, 2001, Pages 257-267

Electronic and structural effects determining rotational barriers about the C-N bond in enamines of pyran-4-one and thiopyran-4-one - A theoretical MO ab initio approach to the interpretation of experimental results

(3) Kleinpeter, E a Koch, A a Taddei, F b

a UNIVERSITY OF POTSDAM (Germany)

b UNIVERSITY OF MODENA AND REGGIO EMILIA (Italy)

Author keywords

Heterocyclic derivatives; MO ab initio calculations; Push pull compounds; Rotational barriers; Vinylogous amides

Indexed keywords

2 CHLORO 6 DIMETHYLAMINOPYRAN 4 ONE; 2 CHLORO 6 DIMETHYLAMINOTHIOPYRAN 4 ONE; 2 CHLORO 6 MORPHOLINOPYRAN 4 ONE; 2 CHLORO 6 MORPHOLINOTHIOPYRAN 4 ONE; 2 CHLORO 6 PIPERIDINOPYRAN 4 ONE; 2 CHLORO 6 PIPERIDINOTHIOPYRAN 4 ONE; 2 CHLORO 6 PYRROLIDINOPYRAN 4 ONE; 2 CHLORO 6 PYRROLIDINOTHIOPYRAN 4 ONE; 4 PYRONE DERIVATIVE; CARBON; ION; NITROGEN; PROTON; SOLVENT; THIOPYRAN 4 ONE; THIOPYRAN DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL BOND; CHEMICAL STRUCTURE; DENSITY; ELECTRON; PHYSICAL CHEMISTRY; ROTATION; SIMULATION; STRUCTURE ACTIVITY RELATION;

EID: 0035862863 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(00)00580-7 Document Type: Article

Times cited : (7)

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