Abstract
A theoretical formulation for the correction to observed effective moments of inertia for the effect of molecular vibration has been worked out for a molecule containing a symmetric internal rotor. The theory has been applied to acetaldehyde and the zero-point average structure has been determined. The barrier to internal rotation has also been examined without any ambiguity of effective I γ caused by zero-point vibrations. The values of the parameters of the zero-point average structure of acetaldehyde are CC 1.512 ± 0.004 A ̊ , CO 1.207 ± 0.004 A ̊ , CH ald 1.114 ± 0.009 A ̊ , CH Me 1.093 ± 0.006 A ̊ , ∠ CCO 124.2° ± 0.5°, ∠ CCH ald 115.3° ± 0.3° and ∠ HCH Me 109.6° ± 0.9°.
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.
