Electronic Spectral Studies of Molybdenyl Complexes. 2. MCD

DFT calculation contour plot of the highest occupied molecular orbital (HOMO) of [MoO(SMe)4]- at O-Mo-S-C(R) dihedral angles of 0°, 58.8°, and 90°...
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Inorg. Chem. 2001, 40, 2207

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2001, Volume 40 Jonathan McMaster, Michael D. Carducci, Yi-Shan Yang, Edward I. Solomon,* and John H. Enemark*: Electronic Spectral Studies of Molybdenyl Complexes. 2. MCD Spectroscopy of [MoOS4]- Centers. Page 694. Figure 7 as published did not show the relative phases of the contour plot of the HOMO. The correct version of Figure 7 appears below.

Figure 7. DFT calculation contour plot of the highest occupied molecular orbital (HOMO) of [MoO(SMe)4]- at O-Mo-S-C(R) dihedral angles of 0°, 58.8°, and 90°.

IC0102337 10.1021/ic0102337 Published on Web 03/29/2001