Unveiling n → π* interactions: convergence of quantum crystallography and computational insights

Dalton Transactions 2026 Open access

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Authors: Alvaro Polo, Pilar García‐Orduña, Jorge Echeverría, Pablo J. Sanz Miguel
DOI: 10.1039/d5dt02386f
Cited by: 0
References: 48

Abstract

. The interaction persists with various anions, hydration levels, and C2 substitutions, highlighting its robustness and potential relevance in supramolecular chemistry. This study provides the experimental validation of an n → π* contact, supported by topological and electrostatic descriptors.

Fields of Study & Subjects

Crystallography and molecular interactions Advanced Chemical Physics Studies Synthesis and characterization of novel inorganic/organometallic compounds

Publication details

Journal / source
Dalton Transactions
Volume
55
Issue
7
Pages
2825–2832
Publication date
1 January 2026
Language
EN