Synthesis, EPR and DFT calculations of rare Ag(II)porphyrins and the crystal structure of [Zn(II)tetrakis(4-bromo-2-thiophene)porphyrin]
Artikel i vetenskaplig tidskrift, 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

Författare

Mohamed I D M Ghazzali

Alexandria University

Chalmers, Kemi- och bioteknik

Morsy A. M. Abu-Youssef

Alexandria University

K. Larsson

Lunds universitet

Örjan Hansson

Göteborgs universitet

Adel Amer

Alexandria University

Toomas Tamm

Tallinna Tehnikaülikool

Lars Öhrström

Fysikalisk kemi

Inorganic Chemistry Communication

1387-7003 (ISSN)

Vol. 11 9 1019-1022

Ämneskategorier

Oorganisk kemi

Strukturbiologi

Organisk kemi

DOI

10.1016/j.inoche.2008.05.020

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Senast uppdaterat

2018-06-07