Issue 5, 1981

Strong hydrogen bonding in the polyfluorides: ab initio calculations and a new method of preparing potassium hydrogendifluoride

Abstract

Ab initio LCAO-MO-SCF calculations have been performed on the polyfluoride ions HnFn+1, n= 1–4, and the hydrogen fluoride polymers (HF)m, m= 1–4, to determine their molecular configurations and the hydrogen-bond energies of the polyfluorides. All the polyfluorides are strongly hydrogen bonded and have structures in which a central fluorine acts as the acceptor to one to four HF molecules. The hydrogen fluoride polymers prefer open-chain arrangements. A safe and simple method of preparing K[HF2] in high yield is given.

Article information

Article type
Paper

J. Chem. Soc., Dalton Trans., 1981, 1219-1222

Strong hydrogen bonding in the polyfluorides: ab initio calculations and a new method of preparing potassium hydrogendifluoride

J. H. Clark, J. Emsley, D. J. Jones and R. E. Overill, J. Chem. Soc., Dalton Trans., 1981, 1219 DOI: 10.1039/DT9810001219

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