Issue 7, 1987
From the journal:

Journal of the Chemical Society, Dalton Transactions

Crystal and molecular structures of [MCl(CPh[double bond, length half m-dash]CMe2)(η-C5H5)2](M = Zr or Hf) and [TiCl0.5 Br0.5(CPh[double bond, length half m-dash]CMe2)(η-C5H5)2]: an unusual π-interaction with the metals and molecular orbital calculations on model compounds

Christine J. Cardin,   David J. Cardin,   D. Anthony Morton-Blake,   Hans E. Parge  and  Abhijit Roy  

Abstract

The compounds [MCl(CPh[double bond, length half m-dash]CMe2)(η-C5H5)2](M = Zr or Hf) and [TiCl0.5Br0.5(CPh[double bond, length half m-dash]CMe2)(η-C5H5)2], whose structures have been determined by X-ray diffraction, all show a π-type of interaction between the phenyl ring and the metal. This is revealed by (i) the conformation of the alkenyl ligand, (ii) the small value of the angle M–C(1)–C(5), which is 100.3(3)° when M = Zr and 105.7(2)° when M = Ti, and (iii) the lengthening of the M–Cl bond, to 2.480(1)Å for M = Zr. A specific electronic effect is demonstrated by charge-iterated extended-Hückel calculations on related model systems.

About
Cited by
Related
Download options Please wait...

Article information

DOI
https://doi.org/10.1039/DT9870001641
Article type
Paper

J. Chem. Soc., Dalton Trans., 1987, 1641-1645

Permissions

Request permissions

Crystal and molecular structures of [MCl(CPh[double bond, length half m-dash]CMe2)(η-C5H5)2](M = Zr or Hf) and [TiCl0.5 Br0.5(CPh[double bond, length half m-dash]CMe2)(η-C5H5)2]: an unusual π-interaction with the metals and molecular orbital calculations on model compounds

C. J. Cardin, D. J. Cardin, D. A. Morton-Blake, H. E. Parge and A. Roy, J. Chem. Soc., Dalton Trans., 1987, 1641 DOI: 10.1039/DT9870001641

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Spotlight

Advertisements