Infrared spectroscopy and ab initio computation in conformer determination of keto ester and diketo triphenylphosphonium ylides

Journal of Molecular Structure

Volumn 936, Issue 1-3, 2009, Pages 132-136

  Bunton, Clifford A ^a   Castañeda, Fernando ^b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b UNIVERSITY OF CHILE   (Chile)

Author keywords

Acyl stretching frequencies; HF and DFT calculations; Triphenylphosphonium ylides; Ylidic conformation

Indexed keywords

AB INITIO COMPUTATIONS; ACYL STRETCHING FREQUENCIES; ALKYL GROUPS; DIESTERS; ESTER GROUPS; EXPERIMENTAL VALUES; HF AND DFT CALCULATIONS; HF/6-31G; KETO ESTER; KETO GROUPS; SCALE FACTOR; STRETCHING FREQUENCY; TRIPHENYLPHOSPHONIUM YLIDES; YLIDIC CONFORMATION;

CONFORMATIONS; ESTERIFICATION; INFRARED SPECTROSCOPY; PROBABILITY DENSITY FUNCTION; SPECTROSCOPIC ANALYSIS; SULFUR COMPOUNDS;

ESTERS;

EID: 70349096363     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2009.07.028     Document Type: Article

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