On the valence excited states of conjugated dienes
β Scribed by Ruth McDiarmid; John P. Doering
- Publisher
- Elsevier Science
- Year
- 1982
- Tongue
- English
- Weight
- 392 KB
- Volume
- 88
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
Clcctron Impact spectroscoprc results are reported for the lowest-znergy Ag and 6, valence excited states of several ConJUgated dlenes. In alt CSS, the B, state was found to be below the Ag state. The Bu state of the s-crs compounds ~3s found ro be a05 eV tower in energy than that of the s4xzn.s compounds Correlations of these results with those obtamed for seven1 s-trims and s-cis polyenes leads to a new possible interpretation of the state observed below the Bu state in intcr-me&ate length polyenes. specdied. For unhmdered molecules, spectroscopic data mdlcate that the molecules are in the s-tram conformation.
π SIMILAR VOLUMES
Asymmstrlcal vlbnuonc mducc smnll osclllnlmp dipole moments m the ground states of Incar all-~rans polyencs Upon vcrt~cal e\crtdtion into one ol the two low-lying valence cvcited stales the mduccd m-plane dipole momcnls arc mcrcsed 3 trmcs and mcwc The tms dipole moments mcrc~sc wwth rhe cham length
The excited siztes of F2 have been ~vestiga~ed as a function of the internuclear distance by a series of c~n~~ur~t~u~ interactiun crtkulations. Numerous avoided curve-cro&ngs between valence, Rydberg (3s and 3p), and ionic (FfF3 electronic states have been found. Transition moments from the ground s
## Abstract The singlet and triplet excited states of hydrogen cyanide have been computed by using the complete active space selfβconsistent field and completed active space second order perturbation methods with the atomic natural orbital (ANOβL) basis set. Through calculations of vertical excitat