Mo-theoretische Versuche zur Vorhersage der unterschiedlichen chemischen Verschiebungen von E- und Z-Oximen / MO Theoretical Attempt for the Calculation of the Different 13C Shifts of E- and Z-oximes
An attempt is made calculate the 13C-shifts of E- and Z-Oximes from their σDia- and σpara- shift term. The charge densities used in the shift terms are calculated by the CNDO/II-method. The theoretical assignment is verified by measuring the pseudocontact-shift of the E- and Z-Oxime with Pr (fod)3-d27.
1971 ◽
Vol 93
(8)
◽
pp. 2060-2062
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2021 ◽
Vol 180
◽
pp. 510-522
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2012 ◽
Vol 8
(S291)
◽
pp. 580-582