Abstract

The CH 3 P radical, which may be produced in the pyrolysis of (CH 3 ) 3 P, has not been observed experimentally. Starting from the potential energy surfaces for the CH 3 P→CH 2 PH rearrangement, we examine the properties of the lowest singlet ( 1 A') and triplet ( 3 A 2 ) states of CH 3 P. The geometry optimizations are performed at the CISD level of theory with the TZ2P+f basis set. For the closed-shell singlet state ot CH 2 =PH, the highest level and basis set is the CCSD level with the TZ2P basis

Full Text
Paper version not known

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 call

Disclaimer: 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.