DOI: 10.1063/1.1733854. Interactions in Polar Media. I. Interparticle Interaction Energy

Interactions in Polar Media. I. Interparticle Interaction Energy

10.1063/1.1733854

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Using permanent plus induced charge distributions on particles a Hartree method is used to compute the polar contribution to the interparticle interaction enerby. Each particle may be a single molecule or a coll?ction of molecules, a whole electrode or an entire medium for example. The total interparticle interaction energy is taken to be the sum of this polar term and of an interparticle electron correlation term. The second of these includes effects due to interparticle London dispersion and exchange repulsion forces. A symmetry property associated with a quantum mechanical operator characterizing the induced charge distribution is obtained in a compact way using a projection operator. The polar term is also calculated from classical electrostatics and shown to be the same as the one above. The present work is a generalization of earlier treatments in which the particles were single molecules interacting via permanent and induced dipoles. An application of this work is the more general formulation of theories associated with polar interactions in condensed phases, such as the theory of electron transfer rates in solution and at electrodes, and the theory of electronic spectral shifts and band broadening of polar solutes in polar media.

Bibliography

Marcus, R. A. (1963). Interactions in Polar Media. I. Interparticle Interaction Energy. The Journal of Chemical Physics, 38(6), 1335â1340.

Authors 1

R. A. Marcus (first)

References 24 Referenced 29

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{'key': '2024020821243216200_r1a'}
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10.1016/S0031-8914(58)94005-9 / Physica (1958)
{'key': '2024020821243216200_r2a', 'first-page': '695', 'volume': '24', 'year': '1959', 'journal-title': 'Physica'} / Physica (1959)
10.1103/PhysRev.110.661 / Phys. Rev. (1958)
10.1039/DF9602900021 / Discussions Faraday Soc. (1960)
{'key': '2024020821243216200_r5'}
{'key': '2024020821243216200_r6'}
10.1103/PhysRev.56.340 / Phys. Rev. (1939)
10.1016/0029-5582(58)90116-0 / Nucl. Phys. (1958)
{'key': '2024020821243216200_r8'}
{'key': '2024020821243216200_r10'}
10.1016/S0031-8914(58)94005-9 / Physica (1958)
{'key': '2024020821243216200_r12'}
10.1016/S0031-8914(58)80084-1 / Physica (1958)
{'key': '2024020821243216200_r13', 'first-page': '193', 'volume': '21', 'year': '1955', 'journal-title': 'Physica'} / Physica (1955)
{'key': '2024020821243216200_r14', 'first-page': '208', 'volume': '21', 'year': '1955', 'journal-title': 'Physica'} / Physica (1955)
10.1016/S0031-8914(52)80224-1 / Physica (1952)
{'key': '2024020821243216200_r16'}
10.1103/PhysRev.36.754 / Phys. Rev. (1930)
10.1021/ja01381a015 / J. Am. Chem. Soc. (1929)
{'key': '2024020821243216200_r17', 'first-page': '242', 'volume': 'A253', 'year': '1959', 'journal-title': 'Proc. Roy. Soc. (London)'} / Proc. Roy. Soc. (London) (1959)
10.1063/1.1742724 / J. Chem. Phys. (1956)

Dates

Type	When
Created	20 years, 7 months ago (Jan. 9, 2005, 1:59 a.m.)
Deposited	1 year, 6 months ago (Feb. 8, 2024, 4:24 p.m.)
Indexed	3 weeks, 5 days ago (Aug. 7, 2025, 4:35 p.m.)
Issued	62 years, 5 months ago (March 15, 1963)
Published	62 years, 5 months ago (March 15, 1963)
Published Print	62 years, 5 months ago (March 15, 1963)

Funders 0

None

BibTeX

@article{Marcus_1963, title={Interactions in Polar Media. I. Interparticle Interaction Energy}, volume={38}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1733854}, DOI={10.1063/1.1733854}, number={6}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Marcus, R. A.}, year={1963}, month=mar, pages={1335–1340} }

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