Theoretical study on thermal cis-to-trans isomerization of BF2-coordinated azo compounds of the para-substitution with electron donating groups
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- 作者：Yong-Peng Wang ; Zhi-Xiang Zhang ; Miao Xie ; Fu-Quan Bai ; baifq@jlu.edu.cn" class="auth_mail" title="E-mail the corresponding author ; Pi-Xia Wang ; Hong-Xing Zhang
- 关键词：Thermal cis-to-trans isomerization ; BF2-Coordinated azo compounds ; Electron donating groups ; Absorption spectra ; Rate constants ; Half-lives
- 刊名：Dyes and Pigments
- 出版年：2016
- 出版时间：June 2016
- 年：2016
- 卷：129
- 期：Complete
- 页码：100-108
- 全文大小：1425 K
文摘
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Thermal cis-trans isomerization of few azo compounds have been investigated.
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There are inversion mechanism and rotation mechanism for these compounds.
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The electron donation groups change the isomerization reaction parameters.
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Calculated half-lives are in qualitative agreement with experimental values.