Vibrational spectra of silatranes and germatranes XM(OCH 2CH 2) 3N (X = F,Cl,H; M = Si,Ge). the problem of the theoretical prediction of condensed phase spectra

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 95, Issue , 2012, Pages 37-45

  Ignatyev, Igor S ^a   Sundius, Tom ^b  

^a ST PETERSBURG STATE UNIVERSITY   (Russian Federation)

^b UNIVERSITY OF HELSINKI   (Finland)

Author keywords

DFT calculations; Germatranes; Silatranes; SQM method; Vibrational spectra

Indexed keywords

AXIAL VIBRATIONS; CONDENSED PHASE; CRYSTALLINE STATE; DFT CALCULATION; EXPERIMENTAL FREQUENCIES; EXPERIMENTAL SPECTRA; EXPERIMENTAL VALUES; FORCE CONSTANTS; FORCE FIELDS; FREQUENCY RANGES; GERMATRANES; NORMAL MODES; SCALING FACTORS; SILATRANES; SQM METHOD; THEORETICAL PREDICTION;

CRYSTALLINE MATERIALS; DENSITY FUNCTIONAL THEORY; GERMANIUM; PETROLEUM REFINING; SILICON;

VIBRATIONAL SPECTRA;

FUSED HETEROCYCLIC RINGS; GERMANIUM; ORGANOSILICON DERIVATIVE; SILATRANE;

ARTICLE; CHEMISTRY; CONFORMATION; INFRARED SPECTROPHOTOMETRY; QUANTUM THEORY; RAMAN SPECTROMETRY; THEORETICAL MODEL; VIBRATION;

BICYCLO COMPOUNDS, HETEROCYCLIC; GERMANIUM; MODELS, THEORETICAL; MOLECULAR CONFORMATION; ORGANOSILICON COMPOUNDS; QUANTUM THEORY; SPECTROPHOTOMETRY, INFRARED; SPECTRUM ANALYSIS, RAMAN; VIBRATION;

EID: 84862186282     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2012.04.037     Document Type: Article

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