%0 Journal Article %1 Bofinger1991limit %A Bofinger, Neville D. %A Peacock, Thomas E. %D 1991 %J Journal of Molecular Structure: THEOCHEM %K diplom fluoreszenz grundlagen %P 235 - 245 %R 10.1016/0166-1280(91)85182-7 %T the pi-electronic structure and spectra of the p-polyphenyls %U http://www.sciencedirect.com/science/article/pii/0166128091851827 %V 230 %X This paper reports Pariser-Parr-Pople (PPP) type calculations on the polyphenyl series. It is found that series limits exist for the ionization potential and the p-band of the electronic spectrum. Studies on members of the series with non-planar geometry indicate that the most stable conformation in the isolated molecule is that in which the neighbouring rings are oriented at about 50° to each other.

@article{Bofinger1991limit, abstract = {This paper reports Pariser-Parr-Pople (PPP) type calculations on the polyphenyl series. It is found that series limits exist for the ionization potential and the p-band of the electronic spectrum. Studies on members of the series with non-planar geometry indicate that the most stable conformation in the isolated molecule is that in which the neighbouring rings are oriented at about 50° to each other.}, added-at = {2011-05-23T11:39:38.000+0200}, author = {Bofinger, Neville D. and Peacock, Thomas E.}, biburl = {https://www.bibsonomy.org/bibtex/2200af8c99506400bdd340d7d13e681ab/bkoch}, description = {ScienceDirect - Journal of Molecular Structure: THEOCHEM : the π-electronic structure and spectra of the p-polyphenyls}, doi = {10.1016/0166-1280(91)85182-7}, interhash = {1f02e56066bc7031a56ec57d99dfbdcc}, intrahash = {200af8c99506400bdd340d7d13e681ab}, issn = {0166-1280}, journal = {Journal of Molecular Structure: THEOCHEM}, keywords = {diplom fluoreszenz grundlagen}, pages = {235 - 245}, timestamp = {2011-05-23T11:39:38.000+0200}, title = {the [pi]-electronic structure and spectra of the p-polyphenyls}, url = {http://www.sciencedirect.com/science/article/pii/0166128091851827}, volume = 230, year = 1991 }