SCF—CI calculations and the assignment of the absorption spectrum of the excimer of 1-methyl naphthalene; relation to 1,1′-binaphthyl |
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Authors: | MFM Post J Langelaar JDW van Voorst |
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Institution: | Laboratory for Physical Chemistry, The University of Amsterdam, Nieuwe Prinsengracht 126, Amsterdam, The Netherlands |
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Abstract: | An SCF MO calculation followed by extensive configuration interaction between all singly-excited singlet states has been performed for the excimer of naphthalene in a perfect and in some distorted sandwich structures. With these results an assignment is given for the bonds in the absorption spectrum of the excimer of 1-methyl naphthalene. It is further shown that the similarity between the optical properties of the 1-methyl naphthalene excimer and those of 1,1′-binaphthyl in fluid solution, is also reflected by the calculations. |
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