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Concerted addition of aldehydes to the singlet biradical [P(μ-NTer)]2.
- Source :
-
Dalton Transactions: An International Journal of Inorganic Chemistry . 9/21/2022, Vol. 51 Issue 35, p13479-13487. 9p. - Publication Year :
- 2022
-
Abstract
- The reaction of the singlet biradical [P(μ-NTer)]2 with various aldehydes selectively yielded the corresponding [2.1.1]-bicyclic addition products in a very fast reaction. All products were fully characterized, including by NMR and vibrational spectroscopy as well as single-crystal X-ray diffraction. The mechanism of the addition was investigated theoretically using high-level ab initio methods (CCSD(T) with triple- and quadruple-zeta basis sets) and corresponds to a concerted cycloaddition reaction with a very low activation barrier. For comparison, the mechanisms of the literature-known cycloadditions of H2, alkenes, and alkynes were also studied, indicating a similar reaction profile for all unsaturated reactants. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 14779226
- Volume :
- 51
- Issue :
- 35
- Database :
- Academic Search Index
- Journal :
- Dalton Transactions: An International Journal of Inorganic Chemistry
- Publication Type :
- Academic Journal
- Accession number :
- 159099024
- Full Text :
- https://doi.org/10.1039/d2dt02229j