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Cover Image, Volume 113, Issue 13
Publication year - 2013
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.24476
Subject(s) - natural bond orbital , cover (algebra) , monomer , acrylate , chemistry , art history , crystallography , polymer science , computer science , art , molecule , organic chemistry , engineering , mechanical engineering , polymer
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 C carbonyl of the monomer as well as differential electron polarization effects as disclosed by natural bond orbital (NBO) analysis.