title: A Study of 2-Iodobutane by Rotational Spectroscopy.
abstract: Rotational transitions belonging to 2-iodobutane (sec-butyl-iodide, CH3CHICH2CH3) were measured over the frequency range 5.5-16.5 GHz via jet-pulsed Fourier transform microwave spectroscopy. The complete nuclear quadrupole coupling tensor of iodine, χ, was obtained for the gauche (g)-, anti (a)-, and gauche' (g')-conformers as well as the four (13)C isotopologues of the gauche species. Rotational constants, centrifugal distortion constants, quadrupole coupling constants, and nuclear spin-rotation constants were determined for each species. Changes in χ of the iodine nucleus, resulting from conformational and isotopic differences, are discussed. Isotopic substitution of g-2-iodobutane allowed for an rs structure to be determined for the carbon backbone. Additionally, isotopic substitution in conjunction with an ab initio structure allowed for a fit of various r0 structural parameters belonging to g-2-iodobutane.
authors.affiliation: Department of Chemistry, Wesleyan University , Hall-Atwater Laboratories, 52 Lawn Avenue, Middletown, Connecticut 06459, United States.
authors.forename: Eric A
authors.initials: EA
authors.lastname: Arsenault
authors.affiliation: Department of Chemistry, Wesleyan University , Hall-Atwater Laboratories, 52 Lawn Avenue, Middletown, Connecticut 06459, United States.
authors.forename: Daniel A
authors.initials: DA
authors.lastname: Obenchain
authors.affiliation: Department of Chemistry, Wesleyan University , Hall-Atwater Laboratories, 52 Lawn Avenue, Middletown, Connecticut 06459, United States.
authors.forename: Yoon Jeong
authors.initials: YJ
authors.lastname: Choi
authors.affiliation: Pacific Northwest National Laboratory , 902 Battelle Blvd, Richland, Washington 99354, United States.
authors.forename: Thomas A
authors.initials: TA
authors.lastname: Blake
authors.affiliation: School of Natural and Social Sciences, Purchase College SUNY , 735 Anderson Hill Road, Purchase, New York 10577, United States.
authors.forename: S A
authors.initials: SA
authors.lastname: Cooke
authors.affiliation: Department of Chemistry, Wesleyan University , Hall-Atwater Laboratories, 52 Lawn Avenue, Middletown, Connecticut 06459, United States.
authors.forename: Stewart E
authors.initials: SE
authors.lastname: Novick