1H NMR Spectra and electronic structure of binuclear niobocene and titanocene containing fulvalene ligands

• Published in: Journal of organometallic chemistry Vol. 290; no. 3; pp. 301 - 305
• Main Authors: Lemenovskii, D.A., Urazowski, I.F., Grishin, Yu.K., Roznyatovsky, V.A.
• Format: Journal Article
• Language: English
• Published: Lausanne Elsevier B.V 01.08.1985; Elsevier Science
• Subjects: Atomic and molecular physics; Exact sciences and technology; Molecular properties and interactions with photons; Nuclear resonance and relaxation; Physics; Experimental study; Metallocene; Hydrido complex; Niobium Organic compounds; Titanium Complexes; Mu complex; Electronic structure; NMR parameter; Titanium Organic compounds; Dinuclear complex; Hapto complex; NMR spectrum; Niobium Complexes
• ISSN: 0022-328X; 1872-8561
• DOI: 10.1016/0022-328X(85)87293-4

1H NMR spectra of binuclear metallocene hydride complexes, (η 5 : η 5-C 10H 8)(C 5H 5) 2M 2(μ-H) 2 (M = Nb, 20°C and Ti, (−60 to +25°C), were studied. The Nb complex is diamagnetic and gives a high resolution spectrum. The coordination of bridging hydride H atoms provides Nb atoms with complete 18 electron configuration. In its ground state, the Ti complex is also diamagnetic (the spectrum at −60°C agrees to that) in spite of only 17 electron configuration of each Ti atom. However, the population of the excited triplet state in the case of the Ti complex is appreciable at temperatures higher than −30°C, the proton resonance lines being shifted downfield and significantly broadened as compared with the spectrum at −60°C.