A molecular orbital study of lithium ion association with bases. The excited carbonyl bases R2CO

✍ Scribed by Janet E. Del Bene; William L. Kochenour

• Publisher: Elsevier Science
• Year: 1981
• Tongue: English
• Weight: 414 KB
• Volume: 81
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(81)80255-2

✦ Synopsis

SCF CI calculations have been performed to investigate Lf association with excited bases R2C0. Although association leads to large increases in n -c n* transition energies, the complexes R+ZOLP remain bound in the n + X* state, but are destabilized relative to the ground state. In the L?-urea complex, the n + sr* A2 state lies slightly above a charge-transfer r -o* A2 state.