Synthesis and molecular and electronic structure of monomeric [Ti(η8-C8H8)(NBut)]

被引:28
作者
Blake, AJ
Dunn, SC
Green, JC
Jones, NM
Moody, AG
Mountford, P
机构
[1] Univ Nottingham, Dept Chem, Nottingham NG7 2RD, England
[2] Univ Oxford, Inorgan Chem Lab, Oxford OX1 3QR, England
关键词
D O I
10.1039/a801968a
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Reaction of [Ti(NBut)Cl-2(py)(3)] with K-2[C8H8] gave the monomeric, pseudo-two-coordinate complex [Ti(eta 8-C8H8)(NBut)] 1 which has been crystallographically characterised; the electronic structure of 1 has been investigated using density functional theory calculations and gas phase photoelectron spectroscopy.
引用
收藏
页码:1235 / 1236
页数:2
相关论文
共 18 条
[1]  
Allen F.H., 1993, CHEM AUTOMAT NEWS, V8, P31
[2]   HE(I) AND HE(II) PHOTOELECTRON-SPECTRA OF SOME MIXED SANDWICH COMPOUNDS OF TITANIUM, ZIRCONIUM AND HAFNIUM [J].
ANDREA, RR ;
TERPSTRA, A ;
OSKAM, A ;
BRUIN, P ;
TEUBEN, JH .
JOURNAL OF ORGANOMETALLIC CHEMISTRY, 1986, 307 (03) :307-317
[3]   TERMINAL VS BRIDGING IMIDO LIGATION IN COMPLEXES OF ZIRCONIUM(IV) AND HAFNIUM(IV) - STRUCTURAL CHARACTERIZATION OF A MU-[ETA-1(N)-ETA-2(N,C)] IMIDO LIGAND [J].
ARNEY, DJ ;
BRUCK, MA ;
HUBER, SR ;
WIGLEY, DE .
INORGANIC CHEMISTRY, 1992, 31 (18) :3749-3755
[4]  
BAERENDS EJ, 1997, THEORETICAL CHEM
[5]   DENSITY-FUNCTIONAL EXCHANGE-ENERGY APPROXIMATION WITH CORRECT ASYMPTOTIC-BEHAVIOR [J].
BECKE, AD .
PHYSICAL REVIEW A, 1988, 38 (06) :3098-3100
[6]  
CLOKE FGN, 1995, COMPREHENSIVE ORGA 2, V4
[7]   HE(I) PHOTOELECTRON-SPECTRA OF SOME TRANSITION-METAL SANDWICH COMPLEXES [J].
EVANS, S ;
GREEN, JC ;
JACKSON, SE .
JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1974, (03) :304-311
[8]   Study of the electronic structure of Ni(eta(5)-C5H5)(NO) by variable-photon-energy photoelectron spectroscopy and density functional calculations [J].
Field, CN ;
Green, JC ;
Mayer, M ;
Nasluzov, VA ;
Rosch, N ;
Siggel, MRF .
INORGANIC CHEMISTRY, 1996, 35 (09) :2504-2514
[9]   The United Kingdom Chemical Database Service [J].
Fletcher, DA ;
McMeeking, RF ;
Parkin, D .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1996, 36 (04) :746-749
[10]   MONOMERIC (PENTAMETHYLCYCLOPENTADIENYL)IRIDIUM IMIDO COMPOUNDS - SYNTHESIS, STRUCTURE, AND REACTIVITY [J].
GLUECK, DS ;
WU, JX ;
HOLLANDER, FJ ;
BERGMAN, RG .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1991, 113 (06) :2041-2054