Effects of methyl substitution of metal (II) bis(2-(2-hydroxyphenyl) benzothiazolate) chelates on optical properties

Effects of methyl substitution of metal (II) bis(2-(2-hydroxyphenyl) benzothiazolate) chelates on optical properties
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金属(II)双(2-(2-羟基苯基)苯并噻唑盐)螯合物的甲基取代对光学性质的影响

DOI:
10.1016/j.orgel.2007.10.009
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发表时间:
2008-04
影响因子:
3.2
通讯作者:
许并社
许并社
中科院分区:
工程技术3区
文献类型:
--
作者:
许并社

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研究了甲基取代对金属(II)双(2-(羟基苯基)苯并噻唑盐)三位置的热稳定性、光物理、电子结构和电化学性能的影响。实验结果表明,甲基化配合物具有较好的热稳定性,发射波长有10 ~ 20nm的红移。量子化学计算表明,甲基取代主要影响最高占据轨道的电荷分布。此外,电子给体甲基的引入使最低未占据分子轨道的能量降低。
The influence of methyl substitution on three-position of metal (II) bis(2-(hydroxyphenyl)benzothiazolate) on thermal stability, photophysical, electronic structure, and electrochemical properties was investigated. Experimental results show that methylated complexes were more thermally stable and had 10–20nm red shift in emission wavelength. Quantum chemistry calculation indicated that the methyl substitution affects mostly the highest occupied molecular orbitals charge distribution. In addition, the introduction of electro-donating methyl group can produce a decrease in the energy of the lowest unoccupied molecular orbitals.
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