ELF abstracts page

De Workshops
Aller à la navigation Aller à la recherche

<<< ELF program page


Please add below, in your own section, your title talk and abstract (click on [edit] at the far right of your name's line).

The order of abstract follow the program of the workshop.


E. Alikhani

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

P. Hiberty

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

C. Lepetit

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

M-M. Rohmer

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

B. De Courcy

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

H. Jamet

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

G. A. Cisneros

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

X. Assfeld

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

H. Rzepa

H. S. Rzepa

Department of Chemistry, Imperial College London

ELF and the Nature of Triple bonds

A recent report of the species HOS≡CH by Schreiner, Mloston and co-workers1 speculated upon the nature of the SC bond; did it have triple significant bond character? Of the various techniques these authors used for the analysis, neither QTAIM nor ELF was employed. I initially filled this gap by a post on my blog2, and followed this by a full article submitted for publication more conventionally3. The results of this investigation will be presented at the workshop, including a rather surprising conclusion regarding the nature of triple bonds themselves in relation to the degree of charge-shift character they display4. The hypothesis so generated was then extended to investigating the nature of metal-metal multiple bonds, particularly Cr-Cr whose compounds are purported to exhibit homonuclear quadruple or quintuple bonds5. These systems also appear to sustain remarkably high charge-shift character and most intriguing ELF behaviour. The issue for discussion in the workshop is therefore whether or not ELF (combined with QTAIM) is indeed revealing something new about the nature of triple and higher order (homonuclear) bond.

Cr-Cr quintuple bond

References

[1] P. R. Schreiner, H. P. Reisenauer, J. Romanski, and G. Mloston, Angew. Chemie. 2009, 48, 8133-8136. DOI: 10.1002/anie.200903969

[2] H. S. Rzepa, Blog and follow up

[3] H. S. Rzepa, submitted for publication, 2010.

[4] S. Shaik, D. Danovich, W. Wu and P. C. Hiberty, Nature Chem., 2009, 1, 443-449. DOI: 10.1038/nchem.327

[5] For initial speculations, see blog.

↑ top of this page


M. Yanez

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

P. J. MacDougall

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

J. Angyan

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

M. Causa

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

J. Contreras-Garcia

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

D. L. Cooper

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

A. Lüchow

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

E. P. Fowe

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

S. Grabowski

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

A. M. Pendas

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

E. Matito

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

D. Borgis

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

R. Vuillemier

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

J. Cioslowski

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

J. Pilmé

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

R. Nesper

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

Y. Grin

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

J-F. Halet

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

U. Wedig

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

R. Weihrich

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

P. Raybaud

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

E. Dumont

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

N. Chéron

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

S. Berski

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

L. Joubert

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

H. Bolvin

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

A. Delalande

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

R. Nalewajski

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

A. Scemama

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

J. Tao

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

I. Fourré

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

H. Gérard

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

N. Russo

Address

Title of the talk

Abstract...

References

[1]

[2]

↑ top of this page

<<< ELF program page