The influence of distribution of hydroxyl groups on vibrational spectra of fullerenol C60(OH)24 isomers: DFT study

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 136, Issue PC, 2015, Pages 1993-1997

  Dawid, A ^a   Gorny K ^a   Gburski, Z ^a  

^a UNIVERSITY OF SILESIA   (Poland)

Author keywords

DFT calculations; Fullerene; Infrared spectroscopy; Keywords Fullerenol; Raman spectroscopy

Indexed keywords

DENSITY FUNCTIONAL THEORY; FULLERENES; INFRARED SPECTROSCOPY; MOLECULES; PLANTS (BOTANY); RAMAN SCATTERING; RAMAN SPECTROSCOPY; VIBRATIONAL SPECTRA;

DFT CALCULATION; FULLERENOLS; IMPORTANT FEATURES; INFRARED AND RAMAN SPECTRA; INFRARED SPECTRUM; NON-UNIFORM DISTRIBUTION; POTENTIAL SENSOR; STRETCHING MODES;

ISOMERS;

FULLERENE C60; FULLERENE DERIVATIVE; FULLERENOL; HYDROXYL RADICAL;

CHEMICAL STRUCTURE; CHEMISTRY; INFRARED SPECTROSCOPY; ISOMERISM; QUANTUM THEORY; RAMAN SPECTROMETRY; VIBRATION;

FULLERENES; HYDROXYL RADICAL; ISOMERISM; MODELS, MOLECULAR; QUANTUM THEORY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; VIBRATION;

EID: 84925259791     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2014.08.023     Document Type: Article

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