title: Vibrational spectra of succinonitrile and its [1,4-13C2]-,[2,2,3,3,-2H4]- and 1,4-13C-2,2,3,3-2H4]-isotopomers and a force field of succinonitrile.
abstract: [1,4-13C2]-succinonitrile, [2,2,3,3-2H4]-succinonitrile, [1,4-13C2-2,2,3,3-2H4]-succinonitrile have been synthesized and, for the first time, the infrared and Raman spectra of these succinonitrile isotopomers have been discussed in detail. The spectra were recorded at ambient temperature and at the temperature of liquid nitrogen and assignments of the vibrational bands of all above isotopomers have been made. In addition to this, the force field of succinonitrile in its two configurations, gauche and trans, have been calculated using all experimental frequencies and the ab-initio method. Also, the assignments of the vibrational bands of the 'normal' succinonitrile molecule have been achieved using the results of the force field calculations to support the assignments for the normal succinonitrile, as well as for the isotopomers.
authors.affiliation: Sektion für Schwingungsspektroskopie, Universität Ulm,  Germany. i.fengler@surrey.ac.uk
authors.forename: O I
authors.initials: OI
authors.lastname: Fengler
authors.forename: A
authors.initials: A
authors.lastname: Ruoff
mesh_terms: D002247:Carbon Isotopes; D003903:Deuterium; D008958:Models, Molecular; D008968:Molecular Conformation; D009570:Nitriles / Q000737:chemistry*; D013055:Spectrophotometry, Infrared; D013059:Spectrum Analysis, Raman; D013329:Structure-Activity Relationship; D013816:Thermodynamics; D014732:Vibration
chemical_list: D002247:Carbon Isotopes; D009570:Nitriles; C010337:succinonitrile; D003903:Deuterium