Explaining the structure of the oh stretching band in the ir spectra of strongly hydrogen-bonded dimers of phosphinic acid and their deuterated analogs in the gas phase: A computational study

Journal of Physical Chemistry A

Volumn 116, Issue 18, 2012, Pages 4495-4509

  Rekik, Najeh ^a   Ghalla, Houcine ^b   Hanna, Gabriel ^a  

^a UNIVERSITY OF ALBERTA   (Canada)

^b FACULTÉ DES SCIENCES DE MONASTIR   (Tunisia)

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONIC COUPLINGS; CENTROSYMMETRIC; COMPUTATIONAL STUDIES; DAVYDOV COUPLING; FERMI RESONANCES; GASPHASE; HIGH FREQUENCY HF; HYDROGEN-BONDED DIMERS; IR SPECTRUM; KEY PARAMETERS; LOW FREQUENCY; O-H STRETCHING BANDS; OH GROUP; OUT-OF-PLANE BENDING; PHOSPHINIC ACID; STRETCHING MODES; STRETCHING TRANSITIONS;

COMPUTER SIMULATION; DEUTERIUM; HYDROGEN BONDS; RESONANCE;

DIMERS;

DEUTERIUM; HYDROGEN; PHOSPHINIC ACID DERIVATIVE;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; DIMERIZATION; GAS; HYDROGEN BOND; INFRARED SPECTROPHOTOMETRY;

COMPUTER SIMULATION; DEUTERIUM; DIMERIZATION; GASES; HYDROGEN; HYDROGEN BONDING; MODELS, CHEMICAL; MOLECULAR STRUCTURE; PHOSPHINIC ACIDS; SPECTROPHOTOMETRY, INFRARED;

EID: 84861081402     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp3016084     Document Type: Article

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