An exploration of the structural and bonding variability in mixed-ligand benzimidazole-2-thione(bromo)(triarylphosphane)dicopper(I) complexes with diamond-shaped Cu-2(mu-X)(2) core structures
Φόρτωση...
Ημερομηνία
Συγγραφείς
Hadjikakou, S. K.
Antoniadis, C. D.
Aslanidis, P.
Cox, P. J.
Tsipis, A. C.
Τίτλος Εφημερίδας
Περιοδικό ISSN
Τίτλος τόμου
Εκδότης
Wiley
Περίληψη
Τύπος
Είδος δημοσίευσης σε συνέδριο
Είδος περιοδικού
peer reviewed
Είδος εκπαιδευτικού υλικού
Όνομα συνεδρίου
Όνομα περιοδικού
European Journal of Inorganic Chemistry
Όνομα βιβλίου
Σειρά βιβλίου
Έκδοση βιβλίου
Συμπληρωματικός/δευτερεύων τίτλος
Περιγραφή
Reaction of copper(I) bromide with benz-1,3-imidazole-2-thione (bzimtH(2)) in the presence of one equivalent of triphenylphosphane (PPh3), tri-meta-tolylphosphane (tmtp) or tri-para-tolylphosphane (tptp) in acetonitrile/methanol solvent afforded dinuclear complexes formulated as [CuBr(bzimtH(2))(PR3)](2). The new complexes were characterized by IR, UV/Vis, and H-1 NMR spectroscopy, while the crystal structures of [{CuBr(mu(2)-S-bzimtH(2))(PPh3)}(2)](0.78)[{Cu(mu 2-Br)(PPh3)(bzimtH(2))}(2)](0.22) (1), [CuBr(mu(2)-S-bzimtH(2))(tptp)](2) (2) and [CuBr(mu(2)-S-bzimtH(2))(tPtp)](2) (3) were determined by single-crystal X-ray diffraction methods. In complex 1, with spectator PPh3 ligands, the unit cell of the crystal consists of two different half-molecules, both corresponding to the formula [CuBr(bzimtH(2))(PPh3)](2). One of the two molecules (molecule A) is a symmetrical dicopper(i) complex in which the exocyclic thione S-atoms serve as bridges between the Cu-I ions. The second one (molecule B) is disordered and can be resolved into two separate entities, one mu(2)-S dicopper(I) complex, similar to molecule A (molecule B1), and another one (molecule B2) involving mu(2)-Br bridges. In contrast, in complexes 2 and 3, with spectator tmtp and tptp ligands, only the bzimtH(2)-bridged dicopper complexes are formed. Density functional calculations at the B3LYP level of theory provided a satisfactory description of the structural, bonding, electronic and related properties of all dicopper complexes exhibiting the "diamond-shaped" Cu-2(mu-X)(2) (X = S or Br) core structures and account well for their structural preferences. ((c) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005).
Περιγραφή
Λέξεις-κλειδιά
bridging ligands, copper, density functional calculations, s ligands, heterocyclic thione ligands, copper(i) halide-complexes, tri-ortho-tolylphosphine, crystal-structure, molecular calculations, cu(i) complexes, electronic-structure, density, potentials, reactivity
Θεματική κατηγορία
Παραπομπή
Σύνδεσμος
<Go to ISI>://000228782300003
http://onlinelibrary.wiley.com/store/10.1002/ejic.200400827/asset/1442_ftp.pdf?v=1&t=h0dvm7my&s=3aec1cc47d227ac803ccb27b51a669c1d52a3da0
http://onlinelibrary.wiley.com/store/10.1002/ejic.200400827/asset/1442_ftp.pdf?v=1&t=h0dvm7my&s=3aec1cc47d227ac803ccb27b51a669c1d52a3da0
Γλώσσα
en
Εκδίδον τμήμα/τομέας
Όνομα επιβλέποντος
Εξεταστική επιτροπή
Γενική Περιγραφή / Σχόλια
Ίδρυμα και Σχολή/Τμήμα του υποβάλλοντος
Πανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Χημείας