Weak hydrogen bonding interaction S-H···O=C studied by FT-IR spectroscopy and DFT calculations

Journal of Molecular Structure

Volumn 1103, Issue , 2016, Pages 217-223

  Mielcarek, Agnieszka ^a   Dołęga, Anna ^a  

^a GDANSK UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

DFT calculations; FT IR spectroscopy; NBO analysis; S H O=C hydrogen bond

Indexed keywords

ACETONE; DENSITY FUNCTIONAL THEORY; GEOMETRY; MOLECULAR ORBITALS; SPACECRAFT INSTRUMENTS; STRETCHING;

DFT CALCULATION; DONOR AND ACCEPTOR; FTIR SPECTROSCOPY; HYDROGEN BONDED SYSTEMS; NBO ANALYSIS; STABILIZATION ENERGY; STRETCHING VIBRATIONS; WEAK HYDROGEN BONDING;

HYDROGEN BONDS;

EID: 84943764131     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2015.09.032     Document Type: Article

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