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- W2022368549 abstract "A computational study of tetrahedrene at the RCCD/cc-pVDZ level led to a singlet-state structure with a lowest energy vibrational mode of 660 cm(-1). The corresponding triplet state was found to be ca. 37 kcal/mol lower in energy than the singlet state. The heat of formation of the singlet state was estimated to be 270 kcal/mol. An isomeric singlet bicyclic dicarbene bis-bicyclo[1.1.0]cyclobutylidene was found to be approximately 94 kcal/mol lower in energy than tetrahedrene." @default.
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- W2022368549 date "2001-10-30" @default.
- W2022368549 modified "2023-10-17" @default.
- W2022368549 title "A Computational Study of Tetrahedrene: Strained Alkene or Dicarbene?" @default.
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- W2022368549 doi "https://doi.org/10.1021/jo000941u" @default.
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