Furan derivatives of substituted phenylthiourea: Spectral studies, semi-empirical quantum-chemical calculations and X-ray structure analyses

Journal of Molecular Structure

Volumn 743, Issue 1-3, 2005, Pages 29-48

  Hritzová, Ol'ga ^a   Černák, Juraj ^a   Šafař, Peter ^b   Frohlichová, Zdenka ^a   Csoregh, Ingeborg ^c  

^a P J AFÁRIK UNIVERSITY   (Slovakia)

^b SLOVAK UNIVERSITY OF TECHNOLOGY   (Slovakia)

^c STOCKHOLM UNIVERSITY   (Sweden)

Author keywords

AM1; Fermi resonance; Hydrogen bonds; PM3; Thiourea; X ray structure analysis

Indexed keywords

CRYSTAL STRUCTURE; DERIVATIVES; FERMI LEVEL; HYDROGEN BONDS; INFRARED SPECTROSCOPY; MOLECULAR STRUCTURE; QUANTUM THEORY; RESONANCE; SINGLE CRYSTALS; SUBSTITUTION REACTIONS; SUPRAMOLECULAR CHEMISTRY; SYNTHESIS (CHEMICAL); X RAY ANALYSIS; X RAY DIFFRACTION ANALYSIS;

FERMI RESONANCE; FURAN DERIVATIVES; PHENYLTHIOUREA; QUANTUM-CHEMICAL CALCULATIONS;

UREA;

EID: 18844458875     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2005.02.014     Document Type: Article

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