A theoretical investigation of the ground and core-hole states of the secondary butyl cation |
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| Authors: | DT Clark A Harrision |
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| Institution: | Department of Chemistry, University of Durham, DH13LE, UK |
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| Abstract: | Non-empirical LCAO MO SCF computations have been carried out on the ground and core-hole states of various structures for the 2-butyl cation. The enhancement of weak interactions on going to the core-hole state manifold potentially provides a straightforward means of distinguishing between isomeric structures since the computed ESCA spectra are so distinctive. |
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| Keywords: | To whom correspondence should be addressed |
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