Experimental and theoretical investigation of 5-para-nitro-benzylidene-thiazolidine-2-thione-4-one molecule

Journal of Molecular Structure

Volumn 924-926, Issue C, 2009, Pages 361-370

  Pîrnǎu, Adrian ^a,b   Chiş, Vasile ^a   Szabo, Laszlo ^a   Cozar, Onuc ^a   Vasilescu, Mihai ^a   Oniga, Ovidiu ^c   Varga, Richard A ^a  

^a BABE BOLYAI UNIVERSITY   (Romania)

^b NATIONAL INSTITUTE FOR RESEARCH AND DEVELOPMENT OF ISOTOPIC AND MOLECULAR TECHNOLOGIES   (Romania)

^c IULIU HATIEGANU UNIVERSITY OF MEDICINE AND PHARMACY   (Romania)

Author keywords

DFT calculations; NMR spectroscopy; Thiazolidine 2 thione 4one; Vibrational spectroscopy; X ray diffraction

Indexed keywords

ATOMIC SPECTROSCOPY; CHEMICAL SHIFT; DENSITY FUNCTIONAL THEORY; DIFFRACTION; DIMETHYL SULFOXIDE; HYDROGEN; HYDROGEN BONDS; MOLECULAR SPECTROSCOPY; MOLECULES; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROBABILITY DENSITY FUNCTION; PROTONS; QUANTUM CHEMISTRY; REACTION KINETICS; SOLVENTS; VIBRATIONAL SPECTROSCOPY; X RAY DIFFRACTION; X RAY DIFFRACTION ANALYSIS; X RAYS;

BASIS SETS; BENZYLIDENE; CELL PARAMETERS; DENSITY-FUNCTIONAL THEORIES; DFT CALCULATIONS; ELECTRONIC CHARACTERIZATIONS; EXPERIMENTAL METHODS; FT- RAMAN SPECTROSCOPIES; GAS-PHASE; GOOD CORRELATIONS; MONOCLINIC SPACE GROUPS; NH GROUPS; NITROGEN ATOMS; NMR SPECTROSCOPY; OPTIMIZED GEOMETRIES; PROTON CHEMICAL SHIFTS; PROTON NMR; QUANTUM CHEMICAL CALCULATIONS; SOLUTE-SOLVENT INTERACTIONS; SOLVATION MODELS; SOLVENT MOLECULES; TAUTOMERIC EQUILIBRIUM; TETRAHYDROFURAN SOLVENTS; THEORETICAL INVESTIGATIONS; THIAZOLIDINE-2-THIONE-4ONE; X-RAY DIFFRACTION TECHNIQUES; X-RAY TECHNIQUES;

ORGANIC SOLVENTS;

EID: 84961980507     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2008.12.044     Document Type: Article

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