화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.110, No.24, 7554-7559, 2006
Abnormal inversion splitting in NH2D: Rotational analysis of the v(5) bending vibrational band system
A high-resolution Fourier transform infrared spectrum of the v(5) bending vibrational band system region of the partially deuterated ammonia molecule NH2D has been measured and rotationally analyzed. The spectrum consists of strong a-type transitions between the states of same vibrational symmetry and weaker c-type transitions between the states of different vibrational symmetry. The Hamiltonian model used includes interaction terms between the rotational states of both upper and lower inversion doublets. The vibrational term values for the symmetric and the antisymmetric component of the upper-inversion doublet are 1605.637 965(620) cm(-1) and 1590.993 82(100) cm(-1), respectively, where the numbers in parentheses are one-standard deviations in the least significant digit. These figures are close to the corresponding values 1605.62 cm(-1) and 1590.72 cm(-1) obtained recently from results based on high-level ab initio calculations. The order of the vibrational term values is abnormal in the ammonia family, as typically the symmetric state is lower in wavenumber than the antisymmetric one.