Synthesis, crystal structure and computational studies of water and pyrazine-bound magnesium 5,10,15,20-tetrakis(3,5-dimethoxyphenyl) porphyrin

被引：0

作者：

Borah, Bishnu Prasad ^{[1
]}

Choudhury, Abdul K. ^{[1
]}

Majumder, Smita ^{[1
]}

Bhuyan, Jagannath ^{[1
,2
]}

机构：

[1] North Eastern Reg Inst Sci & Technol, Dept Chem, Nirjuli 791109, Arunachal Prade, India

[2] Bhattadev Univ, Dept Chem, Pathsala 781325, Assam, India

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2024年 / 1306卷

关键词：

Porphyrin; Magnesium; Pyrazine; Axial ligand; Crystal structure; BIDENTATE AXIAL LIGANDS; SURFACE-MORPHOLOGY; ZINC PORPHYRIN; COMPLEXES; FLUORESCENCE; CATALYSTS;

D O I：

10.1016/j.molstruc.2024.137852

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The synthesis and characterization of two magnesium porphyrins [Mg(TDMPP)(H2O)2], 1 and [Mg(TDMPP) (pyz)2], 2 where TDMPP = 5,10,15,20-tetrakis(3,5-dimethoxyphenyl)porphyrin and pyz = pyrazine have been described. The compound 1 in the presence of pyrazine forms hexa-coordinated compound [Mg(TDMPP)(pyz)2], 2. Both compounds were structurally characterized. Theoretical calculations like structure optimization, calculation of energy of molecular orbitals and simulation of electronic spectra were performed. The HOMO-LUMO energy difference in compound 2 (2.53 eV) is slightly lower than in compound 1 (2.56 eV) which supports the redshift of UV-Vis peaks on binding pyrazine to compound 1.

引用

页数：8

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