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, Hening A. Rahayu, Joseph S. Francisco, Norman Lu*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

2 Citations (Scopus)

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.

Original languageEnglish
Article numbere202215438
JournalAngewandte Chemie - International Edition
Volume62
Issue number6
DOIs
Publication statusPublished - 2023 Feb 1

Keywords

  • C−H Bond Elongation
  • Fluorine
  • Hydrogen Bonds
  • Neutron Diffraction
  • Tetrel Bonds

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)

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