Charge-Shift Bonding Propensity in Halogen-Bonded BXY (B Is a Small Lewis Base H

Junjie Song, Mengyang Wang, Xiaocheng Xu, Qinghao Shao, Ying Zhao, Guiqiu Zhang, Nan Sun

Abstract read

In one paragraph

Article in Molecules (Basel, Switzerland), 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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5 · Who and what money

Authors and funding

7 authors.

Junjie SongKey Laboratory of Molecular and Nano Probes, Ministry of Education, College of Chemistry, Chemical Engineering and Materials Science, Shandong Normal University, Jinan 250014, China.

Mengyang WangKey Laboratory of Molecular and Nano Probes, Ministry of Education, College of Chemistry, Chemical Engineering and Materials Science, Shandong Normal University, Jinan 250014, China.

Xiaocheng XuKey Laboratory of Organic Optoelectronics and Molecular Engineering of the Ministry of Education, Department of Chemistry, Tsinghua University, Beijing 100084, China.ORCID 0000-0002-8601-5005

Qinghao ShaoKey Laboratory of Molecular and Nano Probes, Ministry of Education, College of Chemistry, Chemical Engineering and Materials Science, Shandong Normal University, Jinan 250014, China.

Ying ZhaoKey Laboratory of Molecular and Nano Probes, Ministry of Education, College of Chemistry, Chemical Engineering and Materials Science, Shandong Normal University, Jinan 250014, China.

Guiqiu ZhangKey Laboratory of Molecular and Nano Probes, Ministry of Education, College of Chemistry, Chemical Engineering and Materials Science, Shandong Normal University, Jinan 250014, China.

Nan SunKey Laboratory of Molecular and Nano Probes, Ministry of Education, College of Chemistry, Chemical Engineering and Materials Science, Shandong Normal University, Jinan 250014, China.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Charge-shift (CS) bonding is a new bonding paradigm in the field of chemical bonds. Our recent study has revealed that certain Cu/Ag/Au-bonds display both CS bonding and ω-bonding characters. In this investigation, we extend our study to halogen bonding. Our focus is on scrutinizing the CS bonding in halogen-bonded BXY (B is a small Lewis base H

Indexed as

AIMCS bonding propensityhalogen bondingNBO/NRTω-bonding

Identifiers

PMID37687041

DOI10.3390/molecules28176212

PMCPMC10489069

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