摘要
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.
原文 | 英語 |
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文章編號 | e202215438 |
期刊 | Angewandte Chemie - International Edition |
卷 | 62 |
發行號 | 6 |
DOIs | |
出版狀態 | 已發佈 - 2023 2月 1 |
ASJC Scopus subject areas
- 催化
- 一般化學
指紋
深入研究「Unusual Changes of C−H Bond Lengths in Chiral Zinc Complexes Induced by Noncovalent Interactions」主題。共同形成了獨特的指紋。資料集
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CCDC 2194934: Experimental Crystal Structure Determination
Elakkat, V. (Contributor), Tessema, E. (Contributor), Lin, C.-H. (Contributor), Wang, X. (Contributor), Chang, H.-C. (Contributor), Zheng, Y.-N. (Contributor), Huang, Y.-C. (Contributor), Gurumallappa (Contributor), Zhang, Z.-Y. (Contributor), Long Chan, K. (Contributor), Rahayu, H. A. (Contributor), Francisco, J. S. (Contributor) & Lu, N. (Contributor), Cambridge Crystallographic Data Centre, 2023
DOI: 10.5517/ccdc.csd.cc2cp0bf, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2cp0bf&sid=DataCite
資料集: Dataset
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CCDC 2194932: Experimental Crystal Structure Determination
Elakkat, V. (Contributor), Tessema, E. (Contributor), Lin, C.-H. (Contributor), Wang, X. (Contributor), Chang, H.-C. (Contributor), Zheng, Y.-N. (Contributor), Huang, Y.-C. (Contributor), Gurumallappa (Contributor), Zhang, Z.-Y. (Contributor), Long Chan, K. (Contributor), Rahayu, H. A. (Contributor), Francisco, J. S. (Contributor) & Lu, N. (Contributor), Cambridge Crystallographic Data Centre, 2023
DOI: 10.5517/ccdc.csd.cc2cp08c, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2cp08c&sid=DataCite
資料集: Dataset
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CCDC 2194933: Experimental Crystal Structure Determination
Elakkat, V. (Contributor), Tessema, E. (Contributor), Lin, C.-H. (Contributor), Wang, X. (Contributor), Chang, H.-C. (Contributor), Zheng, Y.-N. (Contributor), Huang, Y.-C. (Contributor), Gurumallappa (Contributor), Zhang, Z.-Y. (Contributor), Long Chan, K. (Contributor), Rahayu, H. A. (Contributor), Francisco, J. S. (Contributor) & Lu, N. (Contributor), Cambridge Crystallographic Data Centre, 2023
DOI: 10.5517/ccdc.csd.cc2cp09d, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2cp09d&sid=DataCite
資料集: Dataset