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

Ghazzali, Mohamed I D M, 1974 (author)
Alexandria University,Chalmers tekniska högskola,Chalmers University of Technology
Abu-Youssef, Morsy A. M. (author)
Alexandria University
Larsson, Krister (author)
Lund University,Lunds universitet,MAX IV-laboratoriet,MAX IV Laboratory
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Hansson, Örjan, 1955 (author)
Gothenburg University,Göteborgs universitet,Institutionen för kemi,Department of Chemistry,University of Gothenburg
Amer, Adel (author)
Alexandria University
Tamm, Toomas (author)
Tallinna Tehnikaülikool (TalTech),Tallinn University of Technology (TalTech)
Öhrström, Lars, 1963 (author)
Chalmers tekniska högskola,Chalmers University of Technology
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 (creator_code:org_t)
Elsevier BV, 2008
2008
English.
In: Inorganic Chemistry Communication. - : Elsevier BV. - 1387-7003 .- 1879-0259. ; 11:9, s. 1019-1022
  • Journal article (peer-reviewed)
Abstract Subject headings
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  • 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.

Subject headings

NATURVETENSKAP  -- Kemi -- Oorganisk kemi (hsv//swe)
NATURAL SCIENCES  -- Chemical Sciences -- Inorganic Chemistry (hsv//eng)
NATURVETENSKAP  -- Biologi -- Strukturbiologi (hsv//swe)
NATURAL SCIENCES  -- Biological Sciences -- Structural Biology (hsv//eng)
NATURVETENSKAP  -- Kemi -- Organisk kemi (hsv//swe)
NATURAL SCIENCES  -- Chemical Sciences -- Organic Chemistry (hsv//eng)
NATURVETENSKAP  -- Kemi (hsv//swe)
NATURAL SCIENCES  -- Chemical Sciences (hsv//eng)
NATURVETENSKAP  -- Fysik (hsv//swe)
NATURAL SCIENCES  -- Physical Sciences (hsv//eng)

Keyword

DFT
EPR
Ag(II)
Porphyrins
X-ray structure determination
X-ray structure determination
porphyrins
Ag(II)
DFT
EPR

Publication and Content Type

art (subject category)
ref (subject category)

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