Optical properties and ab initio study on the hybrid organic-inorganic material [(CH3)2NH2]3[BiI 6]

Journal of Molecular Structure

Volumn 977, Issue 1-3, 2010, Pages 72-77

  Samet, A ^a   Ahmed, A Ben ^a   Mlayah, A ^b   Boughzala, H ^c   Hlil, E K ^d   Abid, Y ^a  

^a University of Sfax   (Tunisia)

^b UNIVERSITÉ PAUL SABATIER   (France)

^c Institut Preparatoire aux Etudes d'Ingenieurs de Nabeul   (Tunisia)

^d LABORATOIRE DE CRISTALLOGRAPHIE   (France)

Author keywords

Absorption; Crystal structure; DFT; Organic inorganic; Vibrational assignment

Indexed keywords

AB INITIO STUDY; DENSITY FUNCTIONAL THEORY CALCULATIONS; DIMETHYLAMINES; EQUILIBRIUM GEOMETRIES; FRONTIER MOLECULAR ORBITALS; HIGHEST OCCUPIED MOLECULAR ORBITAL; HYBRID ORGANIC-INORGANIC MATERIALS; IODOBISMUTHATE; IR AND RAMAN SPECTRA; LOWEST UNOCCUPIED MOLECULAR ORBITAL; ORGANIC-INORGANIC; ORGANIC-INORGANIC HYBRID MATERIALS; ROOM TEMPERATURE; SEMI-EMPIRICAL PARAMETERS; SPACE GROUPS; SPECTRAL ACTIVITY; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; TITLE COMPOUNDS; UNIT CELLS; VIBRATIONAL ASSIGNMENT; VIBRATIONAL MODES; VIBRATIONAL WAVE NUMBERS;

ABSORPTION; DENSITY FUNCTIONAL THEORY; HOLOGRAPHIC INTERFEROMETRY; HYBRID MATERIALS; MOLECULAR MODELING; MOLECULAR ORBITALS; OPTICAL PROPERTIES; POSITIVE IONS; RAMAN SPECTROSCOPY; X RAY DIFFRACTION;

CRYSTAL STRUCTURE;

EID: 77955577911     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2010.05.016     Document Type: Article

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