title: A comparative study of the structure and bonding in heavier pnictinidene complexes [(ArE)M(CO)n] (E = As, Sb and Bi; M = Cr, Mo, W and Fe).
abstract: N,C,N-Chelated pnictinidenes ArE [where E = As (1), Sb (2) or Bi (3); Ar = C6H3-2,6-(CH[double bond, length as m-dash]Nt-Bu)2] were used as ligands for the coordination of transition metal carbonyls. Thus, the reaction of 1-3 with [M(CO)5THF] (where M = Cr, W) or [Mo(CO)5(Me3N)] gave complexes [(ArE)M(CO)5] [where E = As and M = Cr (1a), Mo (1b), W (1c); E = Sb and M = Cr (2a), Mo (2b), W (2c); E = Bi and M = Cr (3a), Mo (3b), W (3c)]. Analogously, the treatment of 1-3 with [Fe2(CO)9] resulted in the formation of the complexes [(ArE)Fe(CO)4] [where E = As (1d), Sb (2d) or Bi (3d)]. All compounds were characterized by1H and13C NMR spectroscopy, Raman, IR and UV-Vis spectroscopy. The molecular structures of the majority of the compounds (except 1b and 1c) were also determined by the single-crystal X-ray diffraction analysis. Furthermore, the structure and bonding of the title compounds have also been thoroughly investigated using a computational approach.
authors.affiliation: Department of General and Inorganic Chemistry, Faculty of Chemical Technology, University of Pardubice, Studentská 573, CZ - 532 10, Pardubice, Czech Republic. libor.dostal@upce.cz.
authors.forename: Iva
authors.initials: I
authors.lastname: Vránová
authors.affiliation: Department of General and Inorganic Chemistry, Faculty of Chemical Technology, University of Pardubice, Studentská 573, CZ - 532 10, Pardubice, Czech Republic. libor.dostal@upce.cz.
authors.forename: Vít
authors.initials: V
authors.lastname: Kremláček
authors.affiliation: Department of General and Inorganic Chemistry, Faculty of Chemical Technology, University of Pardubice, Studentská 573, CZ - 532 10, Pardubice, Czech Republic. libor.dostal@upce.cz.
authors.forename: Milan
authors.initials: M
authors.lastname: Erben
authors.affiliation: Eenheid Algemene Chemie (ALGC), Member of the QCMM VUB-UGent Alliance Research Group, Vrije Universiteit Brussel, Pleinlaan 2, 1050 Brussels, Belgium. jturek@vub.ac.be.
authors.forename: Jan
authors.initials: J
authors.lastname: Turek
authors.affiliation: Department of General and Inorganic Chemistry, Faculty of Chemical Technology, University of Pardubice, Studentská 573, CZ - 532 10, Pardubice, Czech Republic. libor.dostal@upce.cz.
authors.forename: Roman
authors.initials: R
authors.lastname: Jambor
authors.affiliation: Department of General and Inorganic Chemistry, Faculty of Chemical Technology, University of Pardubice, Studentská 573, CZ - 532 10, Pardubice, Czech Republic. libor.dostal@upce.cz.
authors.forename: Aleš
authors.initials: A
authors.lastname: Růžička
authors.affiliation: Eenheid Algemene Chemie (ALGC), Member of the QCMM VUB-UGent Alliance Research Group, Vrije Universiteit Brussel, Pleinlaan 2, 1050 Brussels, Belgium. jturek@vub.ac.be.
authors.forename: Mercedes
authors.initials: M
authors.lastname: Alonso
authors.affiliation: Department of General and Inorganic Chemistry, Faculty of Chemical Technology, University of Pardubice, Studentská 573, CZ - 532 10, Pardubice, Czech Republic. libor.dostal@upce.cz.
authors.forename: Libor
authors.identifier: http://orcid.org/0000-0002-5982-1239
authors.initials: L
authors.lastname: Dostál