Comparative Study of the Structural and Vibroelectronic Properties of Porphyrin and Its Derivatives

Comparative Study of the Structural and Vibroelectronic Properties of Porphyrin and Its Derivatives

Density functional theory (DFT and time-dependent-DFT (TD-DFT) were employed to investigate the vibroelectronic structural properties of porphyrin and some derivatives: unsubstituted porphyrin (TPyr), meso-tetraphenylporphyrin (TPP), meso-tetrakis(p-sulfonatophenyl)porphyrin (TSPP), protonated-TPyr...

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Bibliographic Details
Main Author: Metin Aydin
Format: Article
Language:English
Published: MDPI AG 2014-12-01
Series:Molecules
Subjects:
Raman
IR
TD-DFT calculation
porphyrin derivatives
PES
IC
ISC
Online Access:http://www.mdpi.com/1420-3049/19/12/20988

Internet

http://www.mdpi.com/1420-3049/19/12/20988

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