화학공학소재연구정보센터
Journal of Chemical Physics, Vol.109, No.20, 8851-8856, 1998
nu(1) and nu(1)+nu(5) of DCCN : Determination of the nu(5) energy and the quasilinearity of DCCN
The high resolution infrared spectrum of DCCN in the region of 2385-2530 cm(-1) has been investigated using infrared kinetic spectroscopy. The CD stretching fundamental, nu(1), together with the closely related hot bands, nu(1) + nu(5) - nu(5), nu(1) + 2 nu(5)(+/-2) - 2 nu(5)(+/-2), and nu(1) + 2 nu(5)(0) -2 nu(5)(0) have been observed and assigned. In addition the combination band, vlf vs, was observed. When the information provided by this perpendicular band is combined with that provided by nu(1) + nu(5) - nu(5), the vibrational energy of nu(5) is accurately determined to be 74.845(2) cm(-1). This measurement, when combined with the ab initio and semirigid bender calculations of Malmquist et al., gives a barrier to linearity of 280 cm(-1). Generally, fine structure splittings are not resolved for any levels except those belonging to the upper l- or K-type doubling components of nu(1) + nu(5). This fine structure splitting is most strongly exhibited in the Q-branch of the nu(1) + nu(5) band where it is 0.039 cm(-1).