Abstract
The formation of molecular chlorine from the ground state dissociation of CCl4 and CHCl3 was investigated at the M06, MP2 and CCSD(T) levels of theory, all using the cc-pVTZ basis set. All levels of theory showed the presence of two transition states and an ion-pair isomer intermediate. The presence of the isomer in the dissociation pathway is in agreement with previous studies on the ground state dissociation of similar halocarbons.
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.
