TY - JOUR
T1 - Strong hydrogen bonding in the polyfluorides
T2 - Ab initio calculations and a new method of preparingpotassium hydrogendifluoride
AU - Clark, James H.
AU - Emsley, John
AU - Jones, Deborah J.
AU - Overill, Richard E.
PY - 1981/1/1
Y1 - 1981/1/1
N2 - Ab initio LCAO-MO-SCF calculations have been performed on the polyfluoride ions HMFM+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.
AB - Ab initio LCAO-MO-SCF calculations have been performed on the polyfluoride ions HMFM+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.
UR - http://www.scopus.com/inward/record.url?scp=84943502018&partnerID=8YFLogxK
U2 - 10.1039/DT9810001219
DO - 10.1039/DT9810001219
M3 - Article
AN - SCOPUS:84943502018
SN - 1472-7773
SP - 1219
EP - 1222
JO - Journal of the Chemical Society, Dalton Transactions
JF - Journal of the Chemical Society, Dalton Transactions
IS - 5
ER -