DFT and MP2 ring puckering potential functions, vibrational analysis and comparison with experiment for 3-chloro-1,3-thiaphosphetane 3-oxide, 3-sulfide and 1,3-dithietane 1,1-dioxide

Journal of Molecular Structure

Volumn 875, Issue 1-3, 2008, Pages 189-197

  Badawi, Hassan M ^a   Förner, Wolfgang ^a   Al Suwaiyan, Abdul Aziz ^a  

^a KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS   (Saudi Arabia)

Author keywords

1,3 Dithietane 1,1 dioxide; 3 Chloro 1,3 thiaphosphetane 3 oxide (3 oxo 3 chloro 1,3 thiaphosphetane) and 3 sulfide (3 thio 3 chloro 1,3 thiaphosphetane); Ab initio MP2; DFT B3LYP; Ring puckering; Vibrational spectra and analysis

Indexed keywords

BOND STRENGTH (CHEMICAL); CONFORMATIONS; DERIVATIVES; INFRARED SPECTROSCOPY; POTENTIAL ENERGY; VIBRATIONAL SPECTRA;

HETERO RINGS; POTENTIAL ENERGY CURVES; RING PUCKERING; THIAPHOSPHETANE;

ORGANIC COMPOUNDS;

EID: 39749173103     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2007.04.030     Document Type: Article

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