SINGLE-TRIPLET SPLITTINGS IN TRIMETHYLENEMETHANE DERIVATIVES
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Publisher:Ohio State University
The molecular structure and energies of the lowest triplet and singlet states of 2-methylidenecyclopentane-1,3-diyl (I) and 2-isopropylidenecyclopentane-1,3-diyl (II), both of which contain trimethylenemethane skeletons, have been studied theoretically. The wave functions used are of the open-shell restricted Hartree-Fock type and are based on contracted Gaussian orbitals. The results are compared with experimental data and with previous theoretical results on trimethylenemethane. [FIGURE]
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