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

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

Research output: Contribution to journalArticle

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 languageEnglish
Pages (from-to)463-470
Number of pages8
JournalChemical Physics Letters
Volume309
Issue number5-6
DOIs
Publication statusPublished - 1 Aug 1999

Keywords

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

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