Abstract
Calculations were carried out to determine the proton affinity of several small systems, namely H−, H2, He, Be, F−, HF, O−−, HO−, H2O, N−−−, NH−−, NH2 −, NH3, CO, CN−, H2CO, S−−, HS− and H2S, using the FSGO method. The results are in rather good agreement with previous calculated and experimental values.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
H. Preuss, Z. Naturforschung,11a, 823, 1956;19a, 1335, 1964;20a, 17, 21, 1965.
I.A. A. Frost, J. Chem. Phys.,47, 3707, 1967; II.A. A. Frost, J. Chem. Phys.,47, 3714, 1967; III.A. A. Frost, J. Phys. Chem.,72, 1289, 1968; IV.A. A. Frost andR. A. Rouse, J. Am. Chem. Soc.,90, 1965, 1968; V.A. A. Frost, R. A. Rouse andL. Vescelius, Int. J. Quant. Chem.,2S, 43, 1968; VI.R. A. Rouse andA. A. Frost, J. Chem. Phys.,50, 1705, 1969; VII.A. A. Frost, Theor. Chim. Acta,18, 156, 1970; VIII.S. Y. Chu andA. A. Frost, J. Chem. Phys.,54, 760, 1971; IX.S. Y. Chu andA. A. Frost, J. Chem. Phys.,54, 764, 1971.
A. C. Hopkinson, N. K. Holbrook, K. Yates andI. G. Csizmadia, J. Chem. Phys.,49, 3596, 1968.
S. Huzinaga, J. Chem. Phys.,42, 1293, 1965.
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Tamássy-Lentei, I., Szaniszló, J. Calculation of the proton affinity of several small molecules by the FSGO method. Acta Physica 35, 201–211 (1974). https://doi.org/10.1007/BF03159757
Received:
Issue Date:
DOI: https://doi.org/10.1007/BF03159757