Cooperative hydrogen bonding in trimers involving HCN and HBO

Sean A. C. McDowell; A. David Buckingham

doi:10.1039/C1CP20660E

You do not have JavaScript enabled. Please enable JavaScript to access the full features of the site or access our non-JavaScript page.

Cooperative hydrogen bonding in trimers involving HCN and HBO

Sean A. C. McDowell*^a and A. David Buckingham^b

Author affiliations

* Corresponding authors

^a Department of Biological and Chemical Sciences, The University of the West Indies, Cave Hill Campus, Barbados
E-mail: sacm@mail.com
Fax: +1 246-417-4325

^b Department of Chemistry, The University of Cambidge, Lensfield Road, Cambridge CB2 1EW, UK
E-mail: adb1000@cam.ac.uk

Abstract

A computational study of the cooperative effect of hydrogen bonding in linear trimers comprised of HCN and HBO molecules was undertaken at the MP2/6-311++G(2d,2p) level of theory. It was found that the third molecule leads to enhancement of the binding relative to that of the dimer species comprising these monomers. HBO is a better proton acceptor and a weaker proton donor than HCN.

This article is part of the themed collection: Weak hydrogen bonds – strong effects?

Download options Please wait...

Article information

DOI: https://doi.org/10.1039/C1CP20660E
Article type: Paper
Submitted: 07 Mar 2011
Accepted: 07 May 2011
First published: 01 Jun 2011

Download Citation

Phys. Chem. Chem. Phys., 2011,13, 14097-14100

Permissions

Request permissions

Cooperative hydrogen bonding in trimers involving HCN and HBO

S. A. C. McDowell and A. D. Buckingham, Phys. Chem. Chem. Phys., 2011, 13, 14097 DOI: 10.1039/C1CP20660E

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.

Social activity

Fetching data from CrossRef.
This may take some time to load.

Physical Chemistry Chemical Physics

Cooperative hydrogen bonding in trimers involving HCN and HBO

Abstract

Article information

Download Citation

Permissions

Cooperative hydrogen bonding in trimers involving HCN and HBO

Social activity

Search articles by author

Spotlight

Advertisements