Estimation of ground state and excited state dipole moments of a novel Schiff base derivative containing 1, 2, 4-triazole nucleus by solvatochromic method
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- 作者：Roshmy Alphonse ; Anitha Varghese ; anitha.varghese@christuniversity.in" class="auth_mail" title="E-mail the corresponding author ; Louis George ; Aatika Nizam
- 关键词：Solvatochromic effect ; TD&ndash ; DFT calculation ; Solvent polarity correlation method ; Dipole moment
- 刊名：Journal of Molecular Liquids
- 出版年：2016
- 出版时间：March 2016
- 年：2016
- 卷：215
- 期：Complete
- 页码：387-395
- 全文大小：953 K
文摘
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Synthesis of a novel Schiff base derivative containing 1, 2, 4-triazole moiety.
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Photon induced charge transfer in the excited state.
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Higher dipole moment indicates more polarized excited state.
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The polarity/ dipolarizability of non specific interactions (π⁎) influence the spectral shifts.
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TD-DFT studies are used to explore electronic transitions.