Conformational stability, vibrational spectra, HOMO-LUMO and NBO analysis of 1,3,4-thiadiazolidine-2,5-dithione with experimental (FT-IR and FT-Raman) techniques and scaled quantum mechanical calculations

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 113, Issue , 2013, Pages 171-181

  Xavier, R John ^a   Dinesh, P ^a  

^a Periyar EVR College Autonomous   (India)

Author keywords

1,3,4 Thiadiazolidine 2,5 dithione; B3LYP; FT IR; FT Raman; HF; Vibrational analysis

Indexed keywords

CHARGE TRANSFER; CHEMICAL ANALYSIS; CHEMICAL BONDS; HAFNIUM; MOLECULES; POLARIZATION; QUANTUM THEORY; TEMPERATURE DISTRIBUTION; VIBRATIONS (MECHANICAL);

1,3,4-THIADIAZOLIDINE-2,5-DITHIONE; B3LYP; CHARGE DENSITY DISTRIBUTIONS; FIRST HYPERPOLARIZABILITIES; FT-RAMAN; NATURAL BOND ORBITAL ANALYSIS; QUANTUM-MECHANICAL CALCULATION; VIBRATIONAL ANALYSIS;

VIBRATION ANALYSIS;

EID: 84878327372     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2013.04.108     Document Type: Article

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