화학공학소재연구정보센터
Chemical Physics Letters, Vol.375, No.5-6, 576-582, 2003
New vibrational force-field expansion of coupled linear benders: application to the (X)over-tilde state of acetylene
A new vibrational force-field Hamiltonian is constructed for the coupled linear bend vibrations of C2H2 (X(1)Sigma(g)(+)) represented by circular boson operators. A total of 14 expansion coefficients and the two harmonic frequencies in the force-field Hamiltonian are determined from a least-squares fit to the experimental vibrational term values, i.e., 59 term values in the previous literatures and 23 new term values derived from the present high-resolution dispersed fluorescence measurements. The derived Hamiltonian reproduces well the experimental vibrational term values up to 8000 cm(-1) with a standard deviation sigma of 0.35 cm(-1). (C) 2003 Elsevier Science B.V. All rights reserved.