Piperazinediium, Zr(IV) and Ce(IV) pyridine-2,6-dicarboxylates: Syntheses, characterizations, crystal structures, ab initio HF, DFT calculations and solution studies

Polyhedron

Volumn 29, Issue 5, 2010, Pages 1453-1464

  Aghabozorg, Hossein ^a   Motieiyan, Elham ^a   Salimi, Ali R ^b   Mirzaei, Masoud ^b   Manteghi, Faranak ^c   Shokrollahi, Ardeshir ^d   Derki, Somayeh ^d   Ghadermazi, Mohammad ^e   Sheshmani, Shabnam ^f   Eshtiagh Hosseini, Hossein ^b  

^a KHARAZMI UNIVERSITY   (Iran)

^b FERDOWSI UNIVERSITY OF MASHHAD   (Iran)

^c IRAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Iran)

^d YASOUJ UNIVERSITY   (Iran)

^e UNIVERSITY OF KURDISTAN   (Iran)

^f ISLAMIC AZAD UNIVERSITY   (Iran)

Author keywords

Ab initio calculation; Cerium; Crystal structure; Hydrogen bonds; Solution studies; Zirconium

Indexed keywords

CARBOXYLATION; CERIUM COMPOUNDS; COMPLEXATION; CRYSTAL ATOMIC STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; GEOMETRY; HAFNIUM; HAFNIUM COMPOUNDS; HYDROFLUORIC ACID; IONS; LIGANDS; MOLECULES; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTONATION; PYRIDINE; QUANTUM CHEMISTRY; SYNTHESIS (CHEMICAL); X RAY CRYSTALLOGRAPHY; ZIRCONIUM; ZIRCONIUM COMPOUNDS;

AB - INITIO HARTREE-FOCK; AB INITIO CALCULATIONS; ANIONIC COMPLEX; B3LYP METHOD; CRYSTALS STRUCTURES; DENSITY-FUNCTIONAL THEORY CALCULATIONS; DICARBOXYLATES; PYRIDINE-2; SOLUTION STUDY; TITLE COMPOUNDS;

HYDROGEN BONDS;

EID: 77649275534     PISSN: 02775387     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.poly.2010.01.027     Document Type: Article

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