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H‐Bonding‐Induced Repulsion Between Small Groups Toward a Highly Puckered Benzene

Year: 2026

Type: article

Abstract: ABSTRACT Benzene ring puckering generally arises from the strong repulsion between bulky substituents, while in this study, we present that benzene ring puckering can be achieved by repulsion between small substituents (nitro and methyl groups) facilitated by hydrogen‐bonding attraction, as exemplified in 1,3,5‐trinitro‐2,4,6‐trimethylaminobenzene. The role of intramolecular hydrogen bonding and steric repulsion is further investigated through comparison with four structurally related compounds differing in hydrogen‐bond donor availability and substituent size.

Source: Advanced Science

DOI: 10.1002/advs.78352

Authors: Chaofeng Zhao, Qi Sun, Ning Ding, Xiaoting Ren, Jinxuan He, Shenghua Li, Siping Pang

Institutions: Beijing Institute of Technology, Chemical Synthesis Lab

Language: English

Topic: Crystallography and molecular interactions

Subfield: Physical and Theoretical Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $6,730

OpenAlex ID: W7222895277

FWCI:

Cites: 24

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