Theoretical Characteristics of Metalloporphyrins (OEP) M (CH3) (M=Al, Ga, In and Tl) | Abstract

Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry, Pharmaceutical Sciences and Computational Chemistry

ISSN: 0975-413X
All submissions of the EM system will be redirected to Online Manuscript Submission System. Authors are requested to submit articles directly to Online Manuscript Submission Systemof respective journal.


Theoretical Characteristics of Metalloporphyrins (OEP) M (CH3) (M=Al, Ga, In and Tl)

Author(s): Lepetit MB, Kabbaj OK, Zrineh A

A theoretical study of metalloporphyrins molecules (OEP) M (CH3) (M=Al, Ga, In and Tl) are brought to a few experimental data and to give background for future development of these complexes. The Quantum Chemistry Program (ORCA) program package based on Density Functional Theory (DFT) and Time-dependent Density Functional Theory (TDDFT) for transitions at the B3LYP level with ANO 2ζ+P base was used for calculations and determination of structural properties, electronic properties and orbitals with associated electronic transitions. A structural, energy and orbital analysis was performed to study the interactions between metal and porphyrinic macrocycle, to establish different electronic transitions to understand the influence of the metal’s nature. The results obtained are in good accord with some previous theoretical results and experimental investigations.


Select your language of interest to view the total content in your interested language

30+ Million Readerbase
SCImago Journal & Country Rank
Google Scholar citation report
Citations : 25868

Der Pharma Chemica received 25868 citations as per Google Scholar report

Der Pharma Chemica peer review process verified at publons
Der Pharma Chemica- Journals on pharmaceutical chemistry