Erratum: Redox-Noninnocent Ligand-Supported Vanadium Catalysts for the Chemoselective Reduction of C=X (X = O, N) Functionalities (Journal of the American Chemical Society (2019) 141:38 (15230-15239) DOI: 10.1021/jacs.9b07062)

Guoqi Zhang, Jing Wu, Shengping Zheng, Michelle C. Neary, Jincheng Mao, Marco Flores, Ryan J. Trovitch, Pavel A. Dub

Research output: Contribution to journalComment/debatepeer-review

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 languageEnglish (US)
Pages (from-to)16507-16509
Number of pages3
JournalJournal of the American Chemical Society
Volume142
Issue number38
DOIs
StatePublished - Sep 23 2020

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry

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