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Why Is Methylene a Ground State Triplet while Silylene Is a Ground State Singlet? †

✍ Scribed by Apeloig, Yitzhak; Pauncz, Ruben; Karni, Miriam; West, Robert; Steiner, Wes; Chapman, Douglas


Book ID
119995898
Publisher
American Chemical Society
Year
2003
Tongue
English
Weight
207 KB
Volume
22
Category
Article
ISSN
0276-7333

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Density functional calculations predict that bis- (2,6-di4-butyl)phenylnitrenium has a triplet gmund stal~ and that the corresponding silylene has essentially degenerate singlet and triplet states. The steric bulk of the aryl ligand strongly destabilizes the singlets in each case relative to the tri