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Titolo:
A theoretical analysis of the fundamental stepwise six-electron oxidation of porphyrinogen to porphyrins: the energetics of porphodimethene and artificial porphyrin intermediates
Autore:
Belanzoni, P; Rosi, M; Sgamellotti, A; Bonomo, L; Floriani, C;
Indirizzi:
Univ Perugia, Dipartimento Chim, CNR, Ctr Studio Calcolo Intens Sci Mol, I-06123 Perugia, Italy Univ Perugia Perugia Italy I-06123 ntens Sci Mol, I-06123 Perugia, Italy Univ Lausanne, BCH, Inst Chim Minerale & Analyt, CH-1015 Lausanne, Switzerland Univ Lausanne Lausanne Switzerland CH-1015 CH-1015 Lausanne, Switzerland
Titolo Testata:
JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS
fascicolo: 9, , anno: 2001,
pagine: 1492 - 1497
SICI:
1472-7773(2001):9<1492:ATAOTF>2.0.ZU;2-#
Fonte:
ISI
Lingua:
ENG
Soggetto:
MESO-OCTAETHYLPORPHYRINOGEN COMPLEXES; REDOX CHEMISTRY; OXIDIZED FORMS; APPROXIMATION; CLEAVAGE; ENERGY; GAS;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
20
Recensione:
Indirizzi per estratti:
Indirizzo: Sgamellotti, A Univ Perugia, Dipartimento Chim, CNR, Ctr Studio Calcolo Intens Sci Mol, Via Elce Sotto 8, I-06123 Perugia, Italy Univ Perugia Via Elce Sotto 8 Perugia Italy I-06123 Italy
Citazione:
P. Belanzoni et al., "A theoretical analysis of the fundamental stepwise six-electron oxidation of porphyrinogen to porphyrins: the energetics of porphodimethene and artificial porphyrin intermediates", J CHEM S DA, (9), 2001, pp. 1492-1497

Abstract

Density functional calculations have been carried out on a series of modelhypothetical intermediates in the six-electron oxidation of porphyrinogen (5,10,15,20,22,24-hexahydroporphyrin) to porphyrin. Two possible reaction pathways have been investigated: the conventional one, supposed to be followed both in the chemical synthesis and the biosynthesis of porphyrins, and the unconventional one, which has been discovered on studying the oxidation of a stable form of porphyrinogen, namely meso-octaalkylporphyrinogen. The energetics of both pathways have fully been investigated for the free porphyrinogen. The conventional route is strongly preferred with respect to the unconventional one. The metal-assisted six-electron oxidation of porphyrinogen to porphyrin was also investigated by density functional calculations on several nickel and cobalt model complexes. The metal does not seem to be able to force the system to follow a different route; the conventional route is even more preferred with respect to the unconventional one.

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Documento generato il 04/04/20 alle ore 09:07:24