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Can I read Theoretical study of the low-lying excited states of ABCO, DABCO and homologous cage amines on EtoBox?
Theoretical study of the low-lying excited states of ABCO, DABCO and homologous cage amines by V. Galasso is a Physics and Astronomy article available to read on EtoBox.
What is Theoretical study of the low-lying excited states of ABCO, DABCO and homologous cage amines about?
The electronic spectra of l-azabicyclo[2.2.2]octane (ABCO), 1,4-diazabicyclo[2.2.2]octane (DABCO), and their [1.1.1] and [3.3.3] congeners have been studied at the ab initio level using the symmetry adapted cluster configuration interaction method. A comprehensive theoretical prediction of the discrete excitation spectra, up to the HOMO ~ 5s transition, is presented. All the low-lying singlet and triplet electronic states of these symmetric cage amines are found to have essentially Rydberg nature and originate from excitations out of the n-type molecular orbitals. The theoretical results correlate with the available spectroscopic data satisfactorily and provide quantitative support to a number of experimental assignments based on REMPI and MCD measurements.
Who reads Theoretical study of the low-lying excited states of ABCO, DABCO and homologous cage amines?
It is typically read by researchers, students, and practitioners in Physics and Astronomy.
- Author
- V. Galasso
- Publisher
- Elsevier Science; Elsevier ; Elsevier BV (ISSN 0301-0104)
- Published
- 1997
- Language
- EN
- Field
- Physics and Astronomy (Physical Sciences)