Synthesis, EPR and DFT calculations of rare Ag(II)porphyrins and the crystal structure of [Zn(II)tetrakis(4-bromo-2-thiophene)porphyrin]
Journal article, 2008

Meso-tetrakis (4-bromo-2-thiophene) and (5-bromo-2-thiophene) porphyrins were synthesized in 18% yield from freshly distilled pyrrole and the corresponding aldehydes in refluxing propionic acid. Reaction of both porphyrins with either Zn(OAc) 2 · 2H 2 O or Ag(OAc) afforded the corresponding metal complexes in 20% yield. The free bases and metal complexes were characterized by IR, NMR, EPR, MS and XPS. The crystal structure of 5,10,15,20(4-bromo-2-thiophene)porphyrinato Zn(II) was determined by X-ray diffraction and shows a 'zigzag-like' packing pattern due to S···S intermolecular interaction. Structural features of these molecules are discussed by DFT quantum chemical calculations. © 2008 Elsevier B.V. All rights reserved.

DFT

EPR

Ag(II)

Porphyrins

X-ray structure determination

Author

Mohamed I D M Ghazzali

Alexandria University

Chalmers, Chemical and Biological Engineering

Morsy A. M. Abu-Youssef

Alexandria University

K. Larsson

Lund University

Örjan Hansson

University of Gothenburg

Adel Amer

Alexandria University

Toomas Tamm

Tallinn University of Technology (TalTech)

Lars Öhrström

Physical Chemistry

Inorganic Chemistry Communication

1387-7003 (ISSN)

Vol. 11 9 1019-1022

Subject Categories

Inorganic Chemistry

Structural Biology

Organic Chemistry

DOI

10.1016/j.inoche.2008.05.020

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6/7/2018 6