Structure and vibrational assignment of 3,4-diacetyl-2,5-hexanedione. A density functional theoretical study

Journal of Molecular Structure

Volumn 827, Issue 1-3, 2007, Pages 176-187

  Tayyari, Sayyed Faramarz ^a   Zahedi Tabrizi, Mansoureh ^b   Laleh, Somayeh ^a   Moosavi Tekyeh, Zainab ^a   Rahemi, Hedayat ^d   Wang, Yan Alexander ^c  

^a FERDOWSI UNIVERSITY OF MASHHAD   (Iran)

^b ALZAHRA UNIVERSITY   (Iran)

^c URMIA UNIVERSITY   (Iran)

^d UNIVERSITY OF BRITISH COLUMBIA   (Canada)

Author keywords

3,4 Diacetyl 2,5 hexanedione; Intramolecular hydrogen bond; NBO; Tetraacetylethane; Vibrational spectra

Indexed keywords

ETHANE; FOURIER TRANSFORM INFRARED SPECTROSCOPY; MOLECULAR STRUCTURE; PROBABILITY DENSITY FUNCTION; RAMAN SCATTERING; STEREOCHEMISTRY; VIBRATION MEASUREMENT;

3 4 DIACETYL 2 5 HEXANEDIONE; INTRAMOLECULAR HYDROGEN BOND; TETRAACETYLETHANE; VIBRATIONAL SPECTRUM; WIBERG BOND ORDERS;

KETONES;

EID: 33846471063     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2006.05.028     Document Type: Article

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