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 330 0 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). Spectro scopic constants are derived from single subband analysis of these ban ds 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), high er 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 ro tational I-type resonances within v(9) + v(11). The 2v(10) band has be en analyzed using a model taking into account rotational I-type resona nces within 2v(10) and (x,y)-Coriolis interactions with v(4) + v(10) a nd v(7) + v(11). Both analyses yield a number of spectroscopic constan ts for the levels included in the models as well as various interactio n constants. (C) 1996 Academic Press, Inc.