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- W1968006490 abstract "Abstract The origin of a significantly red‐shifted π–π* transitionobserved in a unique lattice‐framework disilene,2,3,4,6,7,8,2',3',4',6',7',8'‐dodeca‐ tert ‐butyl[5,5']bi{1,5‐di‐silatricyclo[4.2.0.0 1,4 ]octylidene}‐2,7,2',7'‐tetraene, has been elucidated by time‐dependent density functional calculations and MO energy calculations. An intramolecular through‐space interaction between the π* Si=Si orbital and the π* C=C orbitals in the lattice framework strongly stabilizes the LUMO, resulting in a small HOMO–LUMO energy gap. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)" @default.
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- W1968006490 date "2005-04-01" @default.
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- W1968006490 title "Relationship between the Molecular Structure and the π–π* Transition Energy of a Lattice‐Framework Disilene: A DFT Study" @default.
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- W1968006490 doi "https://doi.org/10.1002/ejic.200400942" @default.
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