1. Unusual Changes of C−H Bond Lengths in Chiral Zinc Complexes Induced by Noncovalent Interactions.
- Author
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Elakkat, Vijayanath, Tessema, Eskedar, Lin, Chia‐Her, Wang, Xiaoping, Chang, Huan‐Cheng, Zheng, You‐Ning, Huang, Yu‐Cheng, Gurumallappa, Zhang, Zhong‐Yun, Long Chan, Ka, Rahayu, Hening A., Francisco, Joseph S., and Lu, Norman
- Subjects
ZINC compounds ,CHEMICAL bond lengths ,CARBON-hydrogen bonds ,DENSITY functional theory ,NEUTRON diffraction - Abstract
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. [ABSTRACT FROM AUTHOR]
- Published
- 2023
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