Electrostatic Interaction in Hydrogen Bonding
- 1 July 1950
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 18 (7) , 978-983
- https://doi.org/10.1063/1.1747822
Abstract
An attempt has been made to calculate the frequency shift, the intensity of absorption, and the energy of association of a hydroxyl group which is a participant in a hydrogen‐bonded complex. When a term expressing the polarizationenergy of a hydroxyl group due to electrostatic interaction is added to the Morse function, the Schrödinger equation may be solved. The calculated wave‐length of maximum absorption agrees with the experimental value fairly well for benzyl alcohol and exactly for catechol. Agreement between calculated and observed absorption intensity is satisfactory. The association energy, calculated on the linear polymer model, agrees quite well with the experimental results reported by Mecke.Keywords
This publication has 2 references indexed in Scilit:
- Investigations of infra-red spectra-absorption of some hydroxy compounds in the region of 3 μProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1937
- Quantitative Studies of the Infra-red Absorption of Organic Compounds Containing NH and OH Groups1Journal of the American Chemical Society, 1935