Experimental and theoretical vibrational investigation on the saccharinate ion in aqueous solution

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 95, Issue , 2012, Pages 399-406

  Brizuela, Alicia ^a   Romano, Elida ^a   Yurquina, Alisia ^a   Locatelli, Silvano ^b   Brandán, Silvia Antonia ^a  

^a UNIVERSIDAD NACIONAL DE TUCUMÁN   (Argentina)

^b UNIVERSIDAD NACIONAL DE SALTA   (Argentina)

Author keywords

DFT calculations; Force field; Molecular structure; Saccharinate ion; Vibrational spectra

Indexed keywords

AB INITIO CALCULATIONS; ASSIGNMENT OF; ATOMS IN MOLECULES THEORY; BOND ORDERS; DENSITY FUNCTIONAL THEORIES (DFT); DENSITY FUNCTIONAL THEORY CALCULATIONS; DFT CALCULATION; DIMERIC SPECIES; FORCE FIELDS; INFRARED SPECTRUM; INTENSE BANDS; IR AND RAMAN SPECTRA; NATURAL BOND ORBITAL; SACCHARINATE; SCALED QUANTUM MECHANICS; SODIUM SACCHARINATE; TOPOLOGICAL PROPERTIES; VIBRATIONAL PROPERTIES;

CHARGE TRANSFER; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; DIMERS; MOLECULAR STRUCTURE; QUANTUM THEORY; SOLUTIONS; TOPOLOGY; VIBRATIONAL SPECTRA;

IONS;

ION; ORGANOMETALLIC COMPOUND; SACCHARIN;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; INFRARED SPECTROPHOTOMETRY; INFRARED SPECTROSCOPY; RAMAN SPECTROMETRY; SOLUTION AND SOLUBILITY; THEORETICAL MODEL; THERMODYNAMICS; VIBRATION;

IONS; MODELS, MOLECULAR; MODELS, THEORETICAL; MOLECULAR CONFORMATION; ORGANOMETALLIC COMPOUNDS; SACCHARIN; SOLUTIONS; SPECTROPHOTOMETRY, INFRARED; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; THERMODYNAMICS; VIBRATION;

EID: 84862184640     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2012.04.003     Document Type: Article

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