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Cloke, F Geoffrey N, Unset, Green, Jennifer C, Hanks, John R, Nixon, John F and Suter, James L (2000) Photoelectron spectroscopy and electronic structure of the hexaphosphatitanocene [Ti(¿5-P3C2But2)2]. Journal of the Chemical Society, Dalton Transactions (20). pp. 3534-3536. ISSN 1470479X
Full text not available from this repository.Abstract
Density functional calculations on [Ti(n5-P3C2Bu12) 2] gave estimates of structural parameters in excellent agreement with experiment and predicted a diamagnetic ground state as has been found. Back donation from the metal to the jt LUMO of the ring forming a 5 bond accounts for the inter-ring angle and the diamagnetism. The He I photoelectron spectrum of [Ti(n5-P3C2Bu12) 2] is assigned. Agreement between calculated and experimental ionization energies lends support to the detailed orbital analysis that is presented. © The Royal Society of Chemistry 2000.
| Item Type: | Article |
|---|---|
| Schools and Departments: | School of Life Sciences > Chemistry |
| Depositing User: | Geoff Cloke |
| Date Deposited: | 06 Feb 2012 20:02 |
| Last Modified: | 26 Mar 2012 13:24 |
| URI: | http://sro.sussex.ac.uk/id/eprint/23693 |