The synthesis, structural characterization and conformational analysis of (1,3-bis(2-methyl-4-diethylaminophenyl)imidazolidin-2-ylidene)chloro(1,5-cyclooctadiene)rhodium(I)

KARABIYIK H., Kilincarslan R., AYGÜN M., Cetinkaya B., Buyukgungor O.

ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES, vol.60, no.8, pp.837-842, 2005 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 60 Issue: 8
  • Publication Date: 2005
  • Doi Number: 10.1515/znb-2005-0804
  • Journal Name: ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.837-842
  • Keywords: N-heterocyclic carbenes, rhodium complexes, carbene ligand, crystal structure, ZINDO/1, N-HETEROCYCLIC CARBENES, TRANSITION-METAL-COMPLEXES, HOMOGENEOUS CATALYSIS, STABLE CARBENES, CHEMISTRY, RHODIUM, LIGAND
  • Dokuz Eylül University Affiliated: Yes

Abstract

A four-coordinated Rh(l) complex with a new heterocyclic carbene ligand, functionalized by amino donor pendants, 4, was synthesized and characterized by elemental analyses, NMR and IR spectroscopy, and the molecular structure of the title compound has been determined by Xray crystallography. Crystallographic data: monoclinic, P2(1)/m, a = 7.9307(5), b = 25.0061(12), c = 8.0780(6) angstrom, 0 = 101.366(6)degrees, V = 1570.58(17) angstrom(3), rho(calc), = 1.3515(l) gcm(-3), Z = 2. The experimentally obtained structural parameters for compound 4 compare reasonably well with those calculated at the semi-empirical ZINDO/1 level of theory carried out to elucidate conformational flexibility and steric hindrances.