Intermolecular contributions to the chemical shielding anisotropy in crystalline benzene

T. Barbara; C. F. Wood; B. P. Dailey

doi:10.1016/0022-2364(82)90274-8

Intermolecular contributions to the chemical shielding anisotropy in crystalline benzene

T. Barbara, C. F. Wood, B. P. Dailey

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Abstract

Intermolecular contributions to the chemical shielding in crystalline benzene are investigated through a comparison of solid-state and liquid-crystal measurements of the shielding anisotropy of benzene. A semiclassical ring current calculation applied to the benzene crystal lattice predicts a neighbor contribution to the anisotropy that brings the solid-state and liquid-crystal measurements into accord. Possible intermolecular effects in liquid-crystal methods are also experimentally tested.

Original language	English (US)
Pages (from-to)	225-233
Number of pages	9
Journal	Journal of Magnetic Resonance (1969)
Volume	48
Issue number	2
DOIs	https://doi.org/10.1016/0022-2364(82)90274-8
State	Published - Jun 15 1982
Externally published	Yes

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10.1016/0022-2364(82)90274-8

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title = "Intermolecular contributions to the chemical shielding anisotropy in crystalline benzene",

abstract = "Intermolecular contributions to the chemical shielding in crystalline benzene are investigated through a comparison of solid-state and liquid-crystal measurements of the shielding anisotropy of benzene. A semiclassical ring current calculation applied to the benzene crystal lattice predicts a neighbor contribution to the anisotropy that brings the solid-state and liquid-crystal measurements into accord. Possible intermolecular effects in liquid-crystal methods are also experimentally tested.",

author = "T. Barbara and Wood, {C. F.} and Dailey, {B. P.}",

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T1 - Intermolecular contributions to the chemical shielding anisotropy in crystalline benzene

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AU - Wood, C. F.

AU - Dailey, B. P.

PY - 1982/6/15

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N2 - Intermolecular contributions to the chemical shielding in crystalline benzene are investigated through a comparison of solid-state and liquid-crystal measurements of the shielding anisotropy of benzene. A semiclassical ring current calculation applied to the benzene crystal lattice predicts a neighbor contribution to the anisotropy that brings the solid-state and liquid-crystal measurements into accord. Possible intermolecular effects in liquid-crystal methods are also experimentally tested.

AB - Intermolecular contributions to the chemical shielding in crystalline benzene are investigated through a comparison of solid-state and liquid-crystal measurements of the shielding anisotropy of benzene. A semiclassical ring current calculation applied to the benzene crystal lattice predicts a neighbor contribution to the anisotropy that brings the solid-state and liquid-crystal measurements into accord. Possible intermolecular effects in liquid-crystal methods are also experimentally tested.

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DO - 10.1016/0022-2364(82)90274-8

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JO - Journal of Magnetic Resonance (1969)

JF - Journal of Magnetic Resonance (1969)

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ER -

Intermolecular contributions to the chemical shielding anisotropy in crystalline benzene

Abstract

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