An ab initio study of the C2H2-HF, C 2H(CH3)-HF and C2(CH3) 2-HF hydrogen-bonded complexes

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 63, Issue 2, 2006, Pages 383-390

  Ramos, Mozart N ^a   Lopes, Kelson C ^b   Silva, Washington L V ^b   Tavares, Alessandra M ^b   Castriani, Fátima A ^b   Do Monte, Silmar A ^b   Ventura, Elizete ^b   Araújo, Regiane C M U ^b  

^a FEDERAL UNIVERSITY OF PERNAMBUCO   (Brazil)

^b FEDERAL UNIVERSITY OF PARAÍBA   (Brazil)

Author keywords

Ab initio methods; Hydrogen bond; Infrared spectrum; Substituted alkyne

Indexed keywords

BINDING ENERGY; COMPLEXATION; HYDROGEN BONDS; HYDROGEN INORGANIC COMPOUNDS; INFRARED SPECTROSCOPY; MOLECULAR VIBRATIONS; SUBSTITUTION REACTIONS; TENSORS;

AB INITIO METHODS; SUBSTITUTED ALKYNE;

METHANE;

ALIPHATIC HYDROCARBON; HYDROFLUORIC ACID;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; HYDROGEN BOND; VIBRATION;

HYDROCARBONS, ACYCLIC; HYDROFLUORIC ACID; HYDROGEN BONDING; MODELS, CHEMICAL; VIBRATION;

EID: 31144476262     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2005.05.024     Document Type: Article

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