Effects of phenyl-attached substituents on the vibrational and electronic spectra of meso-tetrapheny

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户：speee

【摘要】

：

The effects of substituents attached to phenyl groups of free base meso-tetraphenylporphyrin(H2TPP) on its geometrical structure,vibrational spectra and electronic spectra of H2TPP derivatives namely

【作者】

：

Chanisorn Ngaojampa Supawadee Namuangruk Yaowarat Surakhot Vinich Promarak Siriporn Jungsuttiwong Nawee Kungwan

【机构】

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Department of Chemistry,Faculty of Science,Chiang Mai University,Chiang Mai 50200,Thailand

【出处】

：

The 15th ICQC International Congress of Quantum Chemistry(第1

【发表日期】

：

2015年5期

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The effects of substituents attached to phenyl groups of free base meso-tetraphenylporphyrin(H2TPP) on its geometrical structure,vibrational spectra and electronic spectra of H2TPP derivatives namely FB1-8 are predicted by the density functional theory(DFT) and time-dependent DFT(TD-DFT) calculations.

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Effects of phenyl-attached substituents on the vibrational and electronic spectra of meso-tetrapheny

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