Synthesis, Structure, and Halo-, Photo-, and Thermochromism Properties of 5-Azotriazolyl Salicylic Acid and Its Cd^sup II^ Complex
A hydrated 5-azotriazolyl salicylic acid of [(H3ATSA)]-2 H20 (1) and its Cd" complex of [Cd2(H2ATSA)4]-13 H20 (2) have been synthesized and characterized by single-crystal X-ray diffraction analysis and a neutral frans-Z-enol form of H3ATSA and another anionic frans-£-enol H2ATSA~ isomer have b...
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Published in | Collection of Czechoslovak chemical communications Vol. 78; no. 6; p. 598 |
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Main Authors | , , , , , , , , |
Format | Journal Article |
Language | English |
Published |
Prague
Blackwell Publishing Ltd
01.06.2013
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Subjects | |
Online Access | Get full text |
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Summary: | A hydrated 5-azotriazolyl salicylic acid of [(H3ATSA)]-2 H20 (1) and its Cd" complex of [Cd2(H2ATSA)4]-13 H20 (2) have been synthesized and characterized by single-crystal X-ray diffraction analysis and a neutral frans-Z-enol form of H3ATSA and another anionic frans-£-enol H2ATSA~ 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 reflec- tance 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 frans-enol to c/s-keto photo- and thermoisomeric reaction for the ATSA3~ anion. The onion cell imaging taken by confocal laser scanning microscope was observed with 1 and 2 as fluorescent labels. [PUBLICATION ABSTRACT] |
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ISSN: | 2192-6506 |