Vibrational study of dialkylphosphonates: di-n-propyl- and di-i-propylphosphonates by semiempirical and ab initio methods

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 60, Issue 1-2, 2004, Pages 41-51

  Carauta, Alexandre N M ^a   De Souza, Vanderléa ^b   Hollauer, Eduardo ^a   Téllez, S Claudio A ^a  

^a FEDERAL UNIVERSITY OF RIO DE JANEIRO   (Brazil)

^b INSTITUTO NACIONAL DE METROLOGIA   (Brazil)

Author keywords

*; Ab initio RHF 6 31G; Dialkylphosphonates; Semiempirical AM1; Vibrational spectra

Indexed keywords

FOURIER TRANSFORM INFRARED SPECTROSCOPY; FREQUENCIES; HYDROCARBONS; MOLECULAR VIBRATIONS; PROPANE; QUANTUM THEORY; RAMAN SCATTERING; STRUCTURE (COMPOSITION); THERMODYNAMIC PROPERTIES;

BENDING VIBRATIONS; VIBRATIONAL SPECTRA;

MOLECULAR SPECTROSCOPY;

CARBON; HYDROGEN; LIGAND; OXYGEN; PHOSPHONIC ACID DERIVATIVE; PHOSPHORUS;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; INFRARED SPECTROPHOTOMETRY; INFRARED SPECTROSCOPY; METHODOLOGY; RAMAN SPECTROMETRY; SPECTROPHOTOMETRY;

CARBON; HYDROGEN; LIGANDS; MODELS, CHEMICAL; OXYGEN; PHOSPHONIC ACIDS; PHOSPHORUS; SPECTROPHOTOMETRY; SPECTROPHOTOMETRY, INFRARED; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN;

EID: 0345603095     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1386-1425(03)00215-4     Document Type: Article

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