Influence of phenyl-attached substituents on the vibrational and electronic spectra of meso-tetraphenylporphyrin: A DFT study

• Main Authors: Ngaojampa,C., Namuangruk,S., Surakhot,Y., Promarak,V., Jungsuttiwong,S., Kungwan,N.
• 格式: Article
• 出版: Elsevier BV 2015
• 主題: Biochemistry; Physical and Theoretical Chemistry; Condensed Matter Physics
• 在線閱讀: http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84926443732&origin=inward; http://cmuir.cmu.ac.th/handle/6653943832/38919

© 2015 Elsevier B.V. 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...