Crystal structure and photochromic properties of three cocrystals derived from 1,1′-bis(carboxymethyl)-4,4′-bipyridine

IF 4 2区化学 Q2 CHEMISTRY, PHYSICAL

Journal of Molecular Structure Pub Date : 2024-11-29 DOI:10.1016/j.molstruc.2024.140962

Guozheng Zhao, Jinjian Liu

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Abstract

Three cocrystals synthesized from 1,1′-bis(carboxymethyl)-4,4′-bipyridine (BCMbpy) have been developed: (H₂BCMbpy)_0.5(H₂BTEC)_0.5·(H₄BTEC)_0.5·2H₂O (1), (BCMbpy)_0.5·(H₂TPDC)·H₂O (2), and (BCMbpy)·(H₄BTEC)·2H₂O (3) (where H₄BTEC is 1,2,4,5-benzenetetracarboxylic acid and H₂TPDC is thiophene-2,5-dicarboxylic acid). The crystal structures and photochromic properties of the three cocrystals were investigated. All three compounds exhibit reversible electron transfer (ET) photochromic behavior, reverting to their original colors in darkness. Notably, compound 3 demonstrates both intramolecular and intermolecular ET modes. The response rates for photoinduced color changes are ranked as 3 > 1 > 2, which is influenced by the steric and electronic structures of the compounds. This indicates that the balance between ET and resultant photochromism can be achieved through the careful modulation of electron acceptors and donors.

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来源期刊

Journal of Molecular Structure 化学-物理化学

CiteScore

7.10

自引率

15.80%

发文量

2384

审稿时长

45 days

期刊介绍： The Journal of Molecular Structure is dedicated to the publication of full-length articles and review papers, providing important new structural information on all types of chemical species including: • Stable and unstable molecules in all types of environments (vapour, molecular beam, liquid, solution, liquid crystal, solid state, matrix-isolated, surface-absorbed etc.) • Chemical intermediates • Molecules in excited states • Biological molecules • Polymers. The methods used may include any combination of spectroscopic and non-spectroscopic techniques, for example: • Infrared spectroscopy (mid, far, near) • Raman spectroscopy and non-linear Raman methods (CARS, etc.) • Electronic absorption spectroscopy • Optical rotatory dispersion and circular dichroism • Fluorescence and phosphorescence techniques • Electron spectroscopies (PES, XPS), EXAFS, etc. • Microwave spectroscopy • Electron diffraction • NMR and ESR spectroscopies • Mössbauer spectroscopy • X-ray crystallography • Charge Density Analyses • Computational Studies (supplementing experimental methods) We encourage publications combining theoretical and experimental approaches. The structural insights gained by the studies should be correlated with the properties, activity and/ or reactivity of the molecule under investigation and the relevance of this molecule and its implications should be discussed.