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• W4220658669 abstract "Abstract The metal dinitrogen bonding in a wide series of terminal end‐on dinitrogen complexes is investigated with the charge displacement analysis based on natural orbitals of chemical valence (CD‐NOCV). The effect of the σ donation and π backdonation on the NN bond are discussed and compared with the observations for a series of carbonyl complexes, published in 2016 by Tarantelli et al. The σ donation is relative invariant over the series of dinitrogen complexes and has no significant effect on the NN bond strength, whereas the π backdonation causes a considerable elongation of the NN bond. Some uncommon examples of weakly bound dinitrogen with blue‐shifted stretching frequency compared to free N 2 ( ν = 2330 cm −1 ) are known. The dinitrogen bonding in these complexes is simulated with a point charge. Apparently, electrostatics account for the shortened N─N bond in these systems." @default.
• W4220658669 created "2022-04-03" @default.
• W4220658669 creator A5035919046 @default.
• W4220658669 creator A5055900748 @default.
• W4220658669 date "2022-03-21" @default.
• W4220658669 modified "2023-10-12" @default.
• W4220658669 title "Terminal end‐on coordination of dinitrogen versus isoelectronic <scp>CO</scp>: A comparison using the charge displacement analysis" @default.
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• W4220658669 doi "https://doi.org/10.1002/jcc.26837" @default.
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