14N electric field gradient in trimethylamine complexes as a diagnostic for formation of ion pairs

Carmen Domene Nunez; Patrick W. Fowler; A. C. Legon

doi:10.1016/S0009-2614(99)00736-8

¹⁴N electric field gradient in trimethylamine complexes as a diagnostic for formation of ion pairs

Carmen Domene Nunez, Patrick W. Fowler, A. C. Legon

Department of Chemistry

University of Exeter

Research output: Contribution to journal › Article › peer-review

Abstract

Electric field gradients at N and Cl nuclei are calculated as functions of separation in ion-pair and neutral-monomer models of (CH3)3N/F2 and (CH3)3N/ClF. Comparison of the predictions with the previously measured nuclear quadrupole coupling constants for these complexes supports the attribution of significant ion-pair character to both species.

Original language	English
Pages (from-to)	463-470
Number of pages	8
Journal	Chemical Physics Letters
Volume	309
Issue number	5-6
DOIs	https://doi.org/10.1016/S0009-2614(99)00736-8
Publication status	Published - 1 Aug 1999

Keywords

ROTATIONAL SPECTROSCOPY, GAS-PHASE, IDENTIFICATION, MIXTURES, CIF

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10.1016/S0009-2614(99)00736-8

Cite this

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title = "14N electric field gradient in trimethylamine complexes as a diagnostic for formation of ion pairs",

abstract = "Electric field gradients at N and Cl nuclei are calculated as functions of separation in ion-pair and neutral-monomer models of (CH3)3N/F2 and (CH3)3N/ClF. Comparison of the predictions with the previously measured nuclear quadrupole coupling constants for these complexes supports the attribution of significant ion-pair character to both species.",

keywords = "ROTATIONAL SPECTROSCOPY, GAS-PHASE, IDENTIFICATION, MIXTURES, CIF",

author = "{Domene Nunez}, Carmen and Fowler, {Patrick W.} and Legon, {A. C.}",

year = "1999",

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doi = "10.1016/S0009-2614(99)00736-8",

language = "English",

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T1 - 14N electric field gradient in trimethylamine complexes as a diagnostic for formation of ion pairs

AU - Domene Nunez, Carmen

AU - Fowler, Patrick W.

AU - Legon, A. C.

PY - 1999/8/1

Y1 - 1999/8/1

N2 - Electric field gradients at N and Cl nuclei are calculated as functions of separation in ion-pair and neutral-monomer models of (CH3)3N/F2 and (CH3)3N/ClF. Comparison of the predictions with the previously measured nuclear quadrupole coupling constants for these complexes supports the attribution of significant ion-pair character to both species.

AB - Electric field gradients at N and Cl nuclei are calculated as functions of separation in ion-pair and neutral-monomer models of (CH3)3N/F2 and (CH3)3N/ClF. Comparison of the predictions with the previously measured nuclear quadrupole coupling constants for these complexes supports the attribution of significant ion-pair character to both species.

KW - ROTATIONAL SPECTROSCOPY, GAS-PHASE, IDENTIFICATION, MIXTURES, CIF

UR - http://dx.doi.org/10.1016/S0009-2614(99)00736-8

U2 - 10.1016/S0009-2614(99)00736-8

DO - 10.1016/S0009-2614(99)00736-8

M3 - Article

SN - 0009-2614

VL - 309

SP - 463

EP - 470

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 5-6

ER -

¹⁴N electric field gradient in trimethylamine complexes as a diagnostic for formation of ion pairs

Abstract

Keywords

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