Synthesis, characterization and DFT study of 4H-benzo[h]chromene derivatives

Journal of Molecular Structure

Volumn 1018, Issue , 2012, Pages 171-175

  Al Sehemi, Abdullah G ^a   Irfan, Ahmad ^a   El Agrody, Ahmed M ^a  

^a KING KHALID UNIVERSITY   (Saudi Arabia)

Author keywords

Cyano p chlorocinnamonitrile; 4 Methoxy 1 naphthol; 4H benzo h chromene; Density functional theory; Ethyl cyano p chlorocinnamate

Indexed keywords

4-METHOXY-1-NAPHTHOL; 4H-BENZO[H]CHROMENE; B3LYP/6-31G; CHROMENE DERIVATIVES; DFT STUDY; EXPERIMENTAL DATA; HIGHEST OCCUPIED MOLECULAR ORBITAL; HOMO-LUMO ENERGY GAP; IMINO TAUTOMERS; LOWEST UNOCCUPIED MOLECULAR ORBITAL; TD-B3LYP;

CARBOXYLATION; ELECTROMAGNETIC WAVE ABSORPTION; MOLECULAR ORBITALS;

DENSITY FUNCTIONAL THEORY;

EID: 84861661062     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2012.03.018     Document Type: Conference Paper

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