Abstract
Pages 15232, 15233, and 15236. In the original paper, the doublet wave functions for 21 and 21a/21b were incorrectly (Figure Presented). reported as spin-contaminated in sections 2.3 and 2.8 (Figure 3 and Scheme 9, respectively.) This comes from the incorrectly reported expected eigenvalue of 0.75 for the spin-squared operator ⟨Ŝ2⟩ for the antiferromagnetically coupled doublet |↓⟩L|↑↑⟩V state (originally given in the Supporting Information). The correct expected eigenvalue for the |↓⟩L|↑↑⟩V state should be 1.75. The wave functions for 21 and 21a/21b (eigenvalues 1.79 and 1.77/1.66, respectively) are therefore not spincontaminated. The corrected Figure 3 and Scheme 9 are presented below. A corrected Supporting Information file is also provided. The corrections do not affect any of the conclusions of the Article, but slightly decrease the gap between the quartet and doublet spin surfaces. Scheme 3 has been also corrected to reflect the fact that (CH3)3SiCH2 • radicals can only react based on spin conservation.
Original language | English (US) |
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Pages (from-to) | 16507-16509 |
Number of pages | 3 |
Journal | Journal of the American Chemical Society |
Volume | 142 |
Issue number | 38 |
DOIs |
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State | Published - Sep 23 2020 |
ASJC Scopus subject areas
- Catalysis
- Chemistry(all)
- Biochemistry
- Colloid and Surface Chemistry