Article ID Journal Published Year Pages File Type
5395170 Computational and Theoretical Chemistry 2011 9 Pages PDF
Abstract
► Cyclobutadiene isomerizes to tetrahedrane via the HOMO-LUMO double electron excited state. ► Electronic effect of t-Bu group enables the photoreaction from cyclobutadiene to tetrahedrane. ► Steric effect between t-Bu groups plays a role to stabilize tetrahedral shape.
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Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Computational study on photo- and thermo-reactions between tetra-tert-butyl-substituted cyclobutadiene and tetrahedrane
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