A novel supramolecular compound of cadmium(II): Synthesis, characterization, crystal structure, ab initio HF, DFT calculations and solution study

Journal of Molecular Structure

Volumn 919, Issue 1-3, 2009, Pages 381-388

  Aghabozorg, Hossein ^a   Manteghi, Faranak ^a   Ghadermazi, Mohammad ^b   Mirzaei, Masoud ^c   Salimi, Ali R ^c   Shokrollahi, Ardeshir ^d   Derki, Somayyeh ^d   Eshtiagh Hosseini, Hossein ^c  

^a KHARAZMI UNIVERSITY   (Iran)

^b UNIVERSITY OF KURDISTAN   (Iran)

^c FERDOWSI UNIVERSITY OF MASHHAD   (Iran)

^d YASOUJ UNIVERSITY   (Iran)

Author keywords

Ab initio calculations; Cadmium; Solution study; X ray crystal structure

Indexed keywords

CADMIUM; CHEMICAL BONDS; COMPLEXATION; COORDINATION REACTIONS; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; EQUILIBRIUM CONSTANTS; HYDROFLUORIC ACID; HYDROGEN; HYDROGEN BONDS; LIGANDS; METAL COMPLEXES; METALLIC COMPOUNDS; MOLECULAR ORBITALS; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROBABILITY DENSITY FUNCTION; PROGRAMMING THEORY; PROTON TRANSFER; PROTONS; SINGLE CRYSTALS; STOICHIOMETRY; SULFUR COMPOUNDS; SUPRAMOLECULAR CHEMISTRY; SYNTHESIS (CHEMICAL);

AB INITIO; AB INITIO CALCULATIONS; B3LYP METHOD; CADMIUM COMPLEXES; DENSITY-FUNCTIONAL (DF); DFT CALCULATIONS; DICARBOXYLIC ACIDS; ELEMENTAL ANALYSIS (EA); GEOMETRY PARAMETERS; HARTREE FOCK (HF) METHODS; ION PAIRS; NMR SPECTROS COPY; PH TITRATIONS; PROTONATION CONSTANTS; SOLUTION BEHAVIOR; SOLUTION STUDY; SYNTHESIS (OF CHIRAL IONIC LIQUIDS); TRANSFER SYSTEMS; X-RAY CRYSTAL STRUCTURE; X-RAY DIFFRACTOMETRY (XRD);

CADMIUM COMPOUNDS;

EID: 58749111802     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2008.10.019     Document Type: Article

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