- Turkish Journal of Physics
- Vol: 28 Issue: 4
- Determination of the Rotational Constant A0 and the Bending Angle CNC for CH3 NC and CH3 15NC Molecu...
Determination of the Rotational Constant A0 and the Bending Angle CNC for CH3 NC and CH3 15NC Molecules
Authors : Mohammad Al-share
Pages : 247-256
View : 9 | Download : 5
Publication Date : 9999-12-31
Article Type : Makaleler
Abstract :The rotational constant A0 for the ground state of CH3 NC and CH3 15NC isotopomers is calculated using a technique which was used earlier for CH3CCH [9], CH3CN [10] and SiH3CCH [11]. This technique is based on calculating the moment of inertia tensors in the bent configuration due to the n8 vibrational state, which is associated with the CNC bending vibration. These values of the moments of inertia are fitted with the values calculated from the rotational constant BV, found experimentally by measuring the rotational frequencies in the microwave and infrared regions. From the fitting, the rotational constant A0, the bending angle \angle CNC and the asymmetry parameter k are determined for n8 = 1, 2 and 3 bending vibrational states. The effect of the isotopic substitution of 13C, 15N and Deuterium on the angle a is studied, which is found to be negligible.Keywords : Methyl isocyanides, Rotational constants, Bending angle, Asymmetric parameter, Moment of inertia tensors.