Abstract

The exponent stabilized Koopmans' theorem is used to calculate the energies of the π* anion states of 1,4,5,8-tetrahydronaphthalene. The results indicate that the ordering of π* anion states is 2 2B3g < 2 2Au < 3 2B3g. This order of anion states is the same as that which would prevail were only through-space (TS) interactions present. The through-bond (TB) interactions destabilize all the π* orbitals; however, they do not change the order.

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.