Bond length alternation in pentalene
- 1 January 1961
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 4 (1) , 33-38
- https://doi.org/10.1080/00268976100100041
Abstract
According to lcao-mo calculations lower π-electron and total electron energy values result if the molecular symmetry group for pentalene is taken to be C2h instead of D2h . Though a considerable reduction in π-electron energy is obtained, the gain in total electron energy is much smaller. Nevertheless it may be stated that in the ground state the twofold axes C2 x and C2 y are not present.Keywords
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