An ab initio study of the electronic and vibrational properties of pyrazine⋯HX and XH⋯pyrazine⋯HX hydrogen-bonded complexes (X=F, NC, Cl, CN and CCH)

Journal of Molecular Structure

Volumn 744-747, Issue SPEC. ISS., 2005, Pages 217-220

  Da Silva, João Bosco P ^a   Silva Júnior, Mário R ^a   Ramos, Mozart N ^a   Galembeck, Sérgio E ^b  

^a FEDERAL UNIVERSITY OF PERNAMBUCO   (Brazil)

^b UNIVERSITY OF SÃO PAULO   (Brazil)

Author keywords

Ab initio; HX linear acids; Hydrogen bond; Infrared; Pyrazine

Indexed keywords

CHARGE TRANSFER; COMPLEXATION; CORRELATION METHODS; HYDROCARBONS; HYDROGEN BONDS; INFRARED SPECTROSCOPY; PROTONS;

ANTIBONDING ORBITALS; BOND FORMATION; MOLECULAR ORBITALS; PROTON ACCEPTORS;

AROMATIC COMPOUNDS;

EID: 19344364192     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2004.12.048     Document Type: Conference Paper

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