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Nuclear hyperfine interactions in the microwave spectrum of aluminium isocyanide

TitleNuclear hyperfine interactions in the microwave spectrum of aluminium isocyanide
Publication TypeJournal Article
Year of Publication1997
AuthorsWalker, KA, Gerry, MCL
JournalChemical Physics Letters
Volume278
Pagination9-15
Date PublishedOct
Type of ArticleArticle
ISBN Number0009-2614
KeywordsABINITIO, ALCL, interactions, IRC+10216, MG-BEARING MOLECULE, MILLIMETER, PREDICTION, ROTATIONAL SPECTRUM, SPECTROMETER, spectroscopic constants, SPIN
Abstract

The pure rotational spectrum of AINC has been measured between 11.9 and 24.0 GHz using a pulsed jet Fourier transform microwave spectrometer. The molecule was produced using a laser ablation source, in which the ablated Al metal reacted with cyanogen present in the Ar backing gas of the jet. Hyperfine structure due to both the Al-27 and N-14 nuclei has been observed. Nuclear quadrupole coupling constants and nuclear spin-rotation constants have been determined for both nuclei along with an Al-N nuclear spin-spin coupling constant. The electronic structure of AINC has been investigated by estimating the degree of sp-hybridisation of the Al and N bonding orbitals. Comparisons have been made to similar linear metal isocyanide and aluminium halide species. (C) 1997 Elsevier Science B.V.

URL<Go to ISI>://A1997YF64300002