Work

Twisting the Propotypic Molecules of Ph–C≡C–Ph, Ph–CH═CH–Ph, and Ph–N═N–Ph through Cocrystallization

Year: 2025

Type: article

Abstract: High Resolution Image Download MS PowerPoint Slide Trans -stilbene, trans -azobenzene, and diphenylacetylene are the prototypic models for photochemical and photophysical studies. This work focuses on the structural investigation of their twisting behavior, which may significantly impact their electronic and photophysical properties. Here, we demonstrate the use of supramolecular derivatization to induce twists in these molecules without chemical modification using π···π-hole interactions with decafluorobiphenyl (FBPh). Cocrystallization with FBPh resulted in twisted conformations, which are further relaxed to the plane conformation in the melt.

Source: Crystal Growth & Design

DOI: 10.1021/acs.cgd.5c00106

Authors: Yury V. Torubaev, Ivan V. Skabitskiy, Mariela J. Pavan, Doron Pappo

Institutions: Ben-Gurion University of the Negev, Russian Academy of Sciences, NS Kurnakova Institute of General and Inorganic Chemistry

Language: English

Topic: Crystallography and molecular interactions

Subfield: Physical and Theoretical Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: hybrid

Estimated APC paid: $4,500

Funder: Israel Science Foundation