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Unusual Changes of C−H Bond Lengths in Chiral Zinc Complexes Induced by Noncovalent Interactions
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Unusual Changes of C−H Bond Lengths in Chiral Zinc Complexes Induced by Noncovalent Interactions

Vijayanath Elakkat, Eskedar Tessema, Chia-Her Lin, Xiaoping Wang, Huan-Cheng Chang, You-Ning Zheng, Yu-Cheng Huang, Gurumallappa, Zhong-Yun Zhang, Ka Long Chan, …
Angewandte Chemie - International Edition, 卷.62(6), e202215438
02/2023

摘要

C−H Bond Elongation Fluorine Hydrogen Bonds Neutron Diffraction Tetrel Bonds Catalysis Chemistry (all)
In order to better understand the effect of non-covalent weak interactions on molecules, we have explored a variety of weak interactions, such as improper H-bonding (HB), tetrel bonds (TBs) and halogen bonds, in fluorinated chiral zinc complexes. High resolution neutron diffraction studies revealed a methylene carbon-hydrogen bond elongation and shortening due to TB and improper HB interactions, respectively. To show the accumulative effects of multiple weak interactions on the C−H bond, three types of tetrel bonds have been carefully examined. We have also shown how C−H bond elongation can be easily offset by forming an improper HB with the H atom from this C−H bond. Non-covalent interaction and electrostatic potential analysis investigations have been used to affirm the nature of the interactions based on density functional theory (DFT) and other related calculations.

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