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Cover Image, Volume 113, Issue 13 International Journal of Quantum Chemistry 113

Article first published online: 21 MAY 2013 | DOI: 10.1002/qua.24476

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Surprisingly differing NMR chemical shifts are obtained when a methyl acrylate or a vinyl acetate monomer, respectively, is incorporated into a neutral Ni(II) complex. According to Andrea Frank, Andreas Berkefeld, Matthias Drexler, Heiko M. Möller, and Thomas E. Exner on page 1787, these findings can be explained by unusual short distances between the Ni ion and the Ccarbonyl of the monomer as well as differential electron polarization effects as disclosed by natural bond orbital (NBO) analysis.

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