New heterocyclic green, blue and orange dyes from indazole: Synthesis, tautomerism, alkylation studies, spectroscopic characterization and DFT/TD-DFT calculations
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- 作者：Soodabeh Poorhaji ; Mehdi Pordel ; mehdipordel58@mshdiau.ac.ir" class="auth_mail" title="E-mail the corresponding author ; Shirin Ramezani
- 关键词：5-Nitro-1H-indazole ; Heterocyclic dyes ; Optical properties ; Density function theory calculations ; Tautomerism
- 刊名：Journal of Molecular Structure
- 出版年：2016
- 出版时间：5 September 2016
- 年：2016
- 卷：1119
- 期：Complete
- 页码：151-156
- 全文大小：1043 K
文摘
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Some new green, blue and orange dyes were synthesized from indazole.
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The optical and solvatochromic properties of the dyes were investigated.
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Tautomerism, oxidation and alkylation reactions were examined in these compounds.
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DFT/TD-DFT calculations of the dyes are performed at the B3LYP/6-311++G(d,p) level.