TY - JOUR
T1 - Erratum
T2 - 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)
AU - Zhang, Guoqi
AU - Wu, Jing
AU - Zheng, Shengping
AU - Neary, Michelle C.
AU - Mao, Jincheng
AU - Flores, Marco
AU - Trovitch, Ryan J.
AU - Dub, Pavel A.
N1 - Publisher Copyright:
© 2020 American Chemical Society. All rights reserved.
Copyright:
Copyright 2020 Elsevier B.V., All rights reserved.
PY - 2020/9/23
Y1 - 2020/9/23
N2 - 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.
AB - 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.
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U2 - 10.1021/jacs.0c09331
DO - 10.1021/jacs.0c09331
M3 - Comment/debate
C2 - 32926770
AN - SCOPUS:85091593318
VL - 142
SP - 16507
EP - 16509
JO - Journal of the American Chemical Society
JF - Journal of the American Chemical Society
SN - 0002-7863
IS - 38
ER -