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Synthesis, Structure, and Halo‐, Photo‐, and Thermochromism Properties of 5‐Azotriazolyl Salicylic Acid and Its Cd II Complex
Author(s) -
Lin JiaoMin,
Yang Meng,
Qiu YanXuan,
Chen WenBin,
Yan Hua,
Gao FeiXian,
OuYang ZhenJie,
Dong Wen,
Kuang TongChun
Publication year - 2013
Publication title -
chempluschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.801
H-Index - 61
ISSN - 2192-6506
DOI - 10.1002/cplu.201300113
Subject(s) - enol , chemistry , crystal (programming language) , single crystal , thermochromism , crystallography , photoluminescence , fluorescence , aqueous solution , absorption spectroscopy , photochemistry , analytical chemistry (journal) , materials science , organic chemistry , catalysis , optics , physics , computer science , programming language , optoelectronics
A hydrated 5‐azotriazolyl salicylic acid of [(H 3 ATSA)]⋅2 H 2 O ( 1 ) and its Cd II complex of [Cd 2 (H 2 ATSA) 4 ]⋅13 H 2 O ( 2 ) have been synthesized and characterized by single‐crystal X‐ray diffraction analysis and a neutral trans ‐ Z ‐enol form of H 3 ATSA and another anionic trans ‐ E ‐enol H 2 ATSA − isomer have been found in 1 and 2 , respectively. The yellow crystal of 2 can be transformed in situ into red crystals in NaOH solution. The diffuse reflectance and photoluminescent spectra for the crystal powder samples and the aqueous solutions of 1 and 2 have been investigated. The DFT and TDDFT calculations at B3LYP/6–31G* level for 1 and B3LYP/Lanl2dz level for 2 have been used to demonstrate the characteristic absorption spectra and the trans ‐enol to cis ‐keto photo‐ and thermoisomeric reaction for the ATSA 3− anion. The onion cell imaging taken by confocal laser scanning microscope was observed with 1 and 2 as fluorescent labels.