Geometric and electronic Structure of carbocene, (C5R5)(2)C, versus silicocene, (C5R5)(2)Si (R = H, Me)

Schoeller W, Friedrich O, Sundermann A, Rozhenko A (1999)
ORGANOMETALLICS 18(11): 2099-2106.

Journal Article | Published | English

No fulltext has been uploaded

Author
; ; ;
Abstract
The electronic structures of carbocene and silicocene have been investigated by density functional calculations. Accordingly, carbocene behaves entirely different compared to silicocene. The former prefers a classical dicyclopentadienylcarbene structure, while the latter adopts a slightly distorted sandwich structure. Methyl substitution at the cyclopentadienyl unit does not exert a considerable effect on the resulting equilibrium structure. A detailed analysis of the electron distribution based on an analysis of the Laplacian of the charge density is given.
Publishing Year
ISSN
eISSN
PUB-ID

Cite this

Schoeller W, Friedrich O, Sundermann A, Rozhenko A. Geometric and electronic Structure of carbocene, (C5R5)(2)C, versus silicocene, (C5R5)(2)Si (R = H, Me). ORGANOMETALLICS. 1999;18(11):2099-2106.
Schoeller, W., Friedrich, O., Sundermann, A., & Rozhenko, A. (1999). Geometric and electronic Structure of carbocene, (C5R5)(2)C, versus silicocene, (C5R5)(2)Si (R = H, Me). ORGANOMETALLICS, 18(11), 2099-2106.
Schoeller, W., Friedrich, O., Sundermann, A., and Rozhenko, A. (1999). Geometric and electronic Structure of carbocene, (C5R5)(2)C, versus silicocene, (C5R5)(2)Si (R = H, Me). ORGANOMETALLICS 18, 2099-2106.
Schoeller, W., et al., 1999. Geometric and electronic Structure of carbocene, (C5R5)(2)C, versus silicocene, (C5R5)(2)Si (R = H, Me). ORGANOMETALLICS, 18(11), p 2099-2106.
W. Schoeller, et al., “Geometric and electronic Structure of carbocene, (C5R5)(2)C, versus silicocene, (C5R5)(2)Si (R = H, Me)”, ORGANOMETALLICS, vol. 18, 1999, pp. 2099-2106.
Schoeller, W., Friedrich, O., Sundermann, A., Rozhenko, A.: Geometric and electronic Structure of carbocene, (C5R5)(2)C, versus silicocene, (C5R5)(2)Si (R = H, Me). ORGANOMETALLICS. 18, 2099-2106 (1999).
Schoeller, Wolfgang, Friedrich, O, Sundermann, A, and Rozhenko, A. “Geometric and electronic Structure of carbocene, (C5R5)(2)C, versus silicocene, (C5R5)(2)Si (R = H, Me)”. ORGANOMETALLICS 18.11 (1999): 2099-2106.
This data publication is cited in the following publications:
This publication cites the following data publications:

Export

0 Marked Publications

Open Data PUB

Web of Science

View record in Web of Science®

Search this title in

Google Scholar