Nonconventional hydrogen bonding between clusters of gold and hydrogen fluoride.

Full Abstract

The bonding patterns between small neutral gold Au(3 < or = n < or = 7) and hydrogen fluoride (HF)(1 < or = m < or = 4) clusters are discussed using a high-level density functional approach. Two types of interactions, anchoring Au-F and F-H...Au, govern the complexation of these clusters. The F-H...Au interaction exhibits all the characteristics of nonconventional hydrogen bonding and plays a leading role in stabilizing the lowest-energy complexes. The anchor bonding mainly activates the conventional F-H...F hydrogen bonds within HF clusters and reinforces the nonconventional F-H...Au one. The strength of the F-H...Au bonding, formed between the terminal conventional proton donor group FH and an unanchored gold atom, depends on the coordination of the involved gold atom:
the less it is coordinated, the stronger its nonconventional proton acceptor ability. The strongest F-H...Au bond is formed between a HF dimer and the singly coordinated gold atom of a T-shape Au4 cluster and is accompanied by a very large red shift (1023 cm(-1)) of the nu(F-H) stretch. Estimations of the energies of formation of the F-H...Au bonds for the entire series of the studied complexes are provided.

Learn Faster Today Improve your study skills

Author information

Author/s: Kryachko, E S (ES); Karpfen, A (A); Remacle, F (F);

Affiliation: Department of Chemistry, Bat. B6c, University of Liège, Sart-Tilman, B-4000, Liège, Belgium. eugene.kryachko(-atsign-)ulg.ac.be

Journal and publication information

Publication Type: Journal Article

Journal: The journal of physical chemistry. A (J Phys Chem A), published in United States. (Language: eng)

Reference: 2005-Aug; vol 109 (issue 32) : pp 7309-18

Dates: Created 2006/07/12; Completed 2007/06/21;

PMID: 16834096, status: PubMed-not-MEDLINE (last retrieval date: 12/26/2008)

Sourced from the National Library of Medicine. Abstract text and other information may be subject to copyright.

External Links for this article (including full text providers, if available):

Click Electronic Full-text Provider Links to see options for finding the electronic full text links to this article. Note there may be a subscription or fee required for access to the full text. See our FAQ for information on finding FREE full text articles.

This article may also be located in paper journal collections available in many libraries. Use the Journal and Publication Information above to find the full article.

MeSH headings (categories)

This article was linked to the MESH Headings shown below.

No MeSH Headings found.

The article may not be MeSH Indexed as yet.

This article has not been indexed for related articles as yet, however you can still use the live related article search links below.

See 100+ related articles.