| Abstract
| - The molecular hyperpolarizabilities, β, of spirolinkedpush−pull polyenes, where the several 1,4-cyclohexadienerings linked through the tetrahedral sp3 carbon atoms andelectron-donating and -withdrawing groups wereintroduced in the terminal 1,4-cyclohexadiene rings, were investigatedthrough the ab initio and INDO/Smolecular orbital calculations. It is concluded that thespiroconjugation path is applicable to an interveningbackbone between the electron-donating and the electron-withdrawinggroups, and spirolinked push−pullpolyenes have a possibility to be excellent second-order nonlinearoptical materials from the standpoint oftransparency and relatively large β values.
|
