A tale of hydrogen abstraction, initially detected via X-ray diffraction

Hui, A.K.; Chen, C.-H.; Terwilliger, A.M.; Lord, R.L.; Caulton, K.G.

doi:10.1107/S2053229614003234

Acta Crystallographica Section C
Acta Crystallographica
Section C STRUCTURAL CHEMISTRY

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Figure 5
Isosurface plots for the spin density (top, 0.002 a.u.) and the corresponding singly occupied orbitals (bottom, 0.05 a.u.) of isomer 3_S. The overlap between the α (left) and β (right) orbitals is 0.36.

STRUCTURAL
CHEMISTRY

ISSN: 2053-2296

Volume 70| Part 3| February 2014| Pages 250-255

doi:10.1107/S2053229614003234

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