DOI: 10.1063/1.1679713. Empirical intermolecular potentials for N2 and CO2 from crystal data

Empirical intermolecular potentials for N2 and CO2 from crystal data

10.1063/1.1679713

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Lattice frequencies and energies are calculated with an n-6 atom-atom potential to fit recent Raman spectra of solid N2 and neutron scattering data of solid CO2. It is found that n ∞ 9 provides a slightly better fit than the previously used n = 12. The atom-atom potential, giving a fit of about 10% to experimental data, is compared with other potentials and it is pointed out that it can be modified and supplemented by other terms (a quadrupole potential) so as to yield a more realistic potential model, having the expected forms at the limits of large and small intermolecular distance.

Bibliography

Jacobi, N., & Schnepp, O. (1973). Empirical intermolecular potentials for N2 and CO2 from crystal data. The Journal of Chemical Physics, 58(9), 3647â3651.

Authors 2

N. Jacobi (first)
O. Schnepp (additional)

References 22 Referenced 39

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{'key': '2024020910274998400_r2b'}
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10.1080/00268976400100381 / Mol. Phys. (1964)
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Dates

Type	When
Created	21 years, 6 months ago (Feb. 4, 2004, 5:30 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 6:26 a.m.)
Indexed	1 year, 6 months ago (Feb. 9, 2024, 7:59 p.m.)
Issued	52 years, 3 months ago (May 1, 1973)
Published	52 years, 3 months ago (May 1, 1973)
Published Print	52 years, 3 months ago (May 1, 1973)

Funders 0

None

BibTeX

@article{Jacobi_1973, title={Empirical intermolecular potentials for N2 and CO2 from crystal data}, volume={58}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1679713}, DOI={10.1063/1.1679713}, number={9}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Jacobi, N. and Schnepp, O.}, year={1973}, month=may, pages={3647–3651} }

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