Abstract
The structure of ClO − 3M + ion pairs (M = Li, Na) has been examined with the aid of ab initio molecular orbital calculations. The calculations support recent experimental findings that ClO − 3 M ion paris have C 3v rather than C s configurations. Results from these studies also show that the metal cation prefers to coordinate at the base of the chlorate anion pyramidal structure along the C 3 axis. Calculated vibrational frequencies, intensities, isotopic frequency shifts, and isotopic substituted frequency and intensity patterns render support to this conclusion. New vibrational assignments of observed and some unassignable bands from previous matrix-isolation and molten gas phase spectroscopic studies of ClO − 3M + ion pairs are provided.
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.
