title: Ground state 14N quadrupole couplings in the microwave spectra of N,N'-dimethylaniline and 4,4'-dimethylaminobenzonitrile.
abstract: Microwave spectra of N,N'-dimethylaniline and 4,4'-dimethylaminobenzonitrile have been recorded in a pulsed supersonic jet using chirped pulse techniques. Experimental substitution structures have been determined for both molecules by detection of the spectra of all (13)C and (15)N isotopomers in natural abundance using a broadband spectrometer. Additionally, a narrowband spectrometer has been used to reveal the (14)N quadrupole splittings at high resolution, from which the orbital occupancy numbers of the amino- and cyano-nitrogen atoms have been determined. An apparent direct relationship between these values and the barriers to inversion of the amino groups is discussed.
authors.affiliation: Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, USA.
authors.forename: Ryan G
authors.initials: RG
authors.lastname: Bird
authors.forename: Justin L
authors.initials: JL
authors.lastname: Neill
authors.forename: Valerie J
authors.initials: VJ
authors.lastname: Alstadt
authors.forename: Justin W
authors.initials: JW
authors.lastname: Young
authors.forename: Brooks H
authors.initials: BH
authors.lastname: Pate
authors.forename: David W
authors.initials: DW
authors.lastname: Pratt