Abstract
The effect of vibration and rotation of a molecule on the internuclear distances is calculated to the second order of approximation. A general formula for the expectation value is obtained including the effects coming from the anharmonicity of vibration as well as from the centrifugal force. Coriolis coupling has influence neither on the internuclear distances in the ground state nor on the averaged distances in the thermal equilibrium. Convenient expressions for the centrifugal distortion are considered by making use of vector notations. Actual calculation for individual molecules has revealed many changes in the average positions of the nuclei, particularly in the molecules containing hydrogen atoms. The statistical average of the internuclear distance in thermal equilibrium is calculated. It is seen that the change in the internuclear distance due to centrifugal distortion is proportional to the temperature. The anharmonic vibrational effect is more significant than the centrifugal distortion.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
