Study of the midinfrared and CH-stretching regions of CH2=C-13=CH2

Infrared spectra of [2-C-13]allene (H2C=C-13=CH2) between 1300 and 3300 cm(-1) covering the v(7), v(9) + v(11), 2 v(10), v(6), v(5), and v(8) bands have been studied at a resolution of ca. 0.004 cm(-1). Spectroscopic constants are derived from single subband analysis of these bands and various perturbations are discussed. A detailed analysis of the v(7)/v(9)(1) + v(11)(1) band system is performed from a model taking into account Fermi resonance between v(7) and v(9)(1) + v(11)(1), higher order anharmonic resonance between v(7) and 4v(11)(2), higher order anharmonic resonance between v(9)(1) + v(11)(1) and 4v(11)(2), and rotational I-type resonances within v(9) + v(11). The 2v(10) band has been analyzed using a model taking into account rotational I-type resonances within 2v(10) and (x,y)-Coriolis interactions with v(4) + v(10) and v(7) + v(11). Both analyses yield a number of spectroscopic constants for the levels included in the models as well as various interaction constants. (C) 1996 Academic Press, Inc.