Absorption and emission spectroscopic characteristics of dipterex and its molecularly imprinted recognition: A TD-DFT investigation
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- 作者：Xueli Cheng ; ching108@sohu.com" class="auth_mail" title="E-mail the corresponding author ; Liqing Li ; Yanyun Zhao ; Chang&rsquo ; an Wang
- 关键词：Dipterex ; M06-2X ; Molecularly imprinted recognition ; Absorption and emission spectra ; IR
- 刊名：Chemical Physics Letters
- 出版年：2016
- 出版时间：16 May 2016
- 年：2016
- 卷：652
- 期：Complete
- 页码：93-97
- 全文大小：1170 K
文摘
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The absorption and emission excitations of dipterex were investigated systematically.
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Methacrylic acid was bonded to dipterex to alter its spectroscopic characters.
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Dipterex is connected to methacrylic acid via two hydrogen bonds.
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The absorption and emission spectra of the dipterex–MAA complex were also studied.
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Detailed analysis on the spectroscopic characters were carried out from molecular orbitals.