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Singlet state relaxation via intermolecular dipolar coupling

Singlet state relaxation via intermolecular dipolar coupling
Singlet state relaxation via intermolecular dipolar coupling

The intermolecular contribution to the relaxation of singlet states has been derived on the basis of a translational-rotational diffusion model that describes molecules as impenetrable spheres which translate and rotate in an isotropic low-viscosity medium. The equations for the relaxation rate constants obtained are discussed and the dependence on physical parameters is exploited. Theoretical predictions are compared with experiments when the intermolecular relaxation is due to both protons and deuterons present in the sample. An agreement between experiments and theory of 4 was obtained when the physical parameters are estimated from first-principles calculation.

0021-9606
Pileio, G.
13f78e66-0707-4438-b9c9-6dbd3eb7d4e8
Pileio, G.
13f78e66-0707-4438-b9c9-6dbd3eb7d4e8

Pileio, G. (2011) Singlet state relaxation via intermolecular dipolar coupling. The Journal of Chemical Physics, 134 (21), [214505]. (doi:10.1063/1.3596379).

Record type: Article

Abstract

The intermolecular contribution to the relaxation of singlet states has been derived on the basis of a translational-rotational diffusion model that describes molecules as impenetrable spheres which translate and rotate in an isotropic low-viscosity medium. The equations for the relaxation rate constants obtained are discussed and the dependence on physical parameters is exploited. Theoretical predictions are compared with experiments when the intermolecular relaxation is due to both protons and deuterons present in the sample. An agreement between experiments and theory of 4 was obtained when the physical parameters are estimated from first-principles calculation.

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Published date: 7 June 2011

Identifiers

Local EPrints ID: 414792
URI: http://eprints.soton.ac.uk/id/eprint/414792
ISSN: 0021-9606
PURE UUID: 934755d1-e316-45fb-9cfa-c21a59c663a9
ORCID for G. Pileio: ORCID iD orcid.org/0000-0001-9223-3896

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Date deposited: 11 Oct 2017 16:31
Last modified: 12 Nov 2019 01:46

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Author: G. Pileio ORCID iD

University divisions

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