A theoretical study of the conformation of meso-tetraphenylporphyrin (TPPH2), its anions, cations and metal complexes (Mg2+, Ca2+ and Zn2+)
Тип публикации: Journal Article
Дата публикации: 2010-09-29
scimago Q3
wos Q4
БС2
SJR: 0.228
CiteScore: 1.8
Impact factor: 0.9
ISSN: 10884246, 10991409
General Chemistry
Краткое описание
A theoretical study has been carried out on TPPH2 (both tautomers), its deprotonated and protonated forms, as well as complexes of TPP containing Mg 2+, Ca 2+ and Zn 2+ ions. Two properties have been analyzed. The first one considers the conformation of the meso-phenyl rings and the deformation of the porphyrin macrocycle, the second one relates to the barriers of rotation of the meso-phenyl rings (atropisomerism). In the case of the Zn complex ( ZnTPP ), the coordination effects with the N3 of 1H-imidazole have been calculated.
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Journal of Porphyrins and Phthalocyanines
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Alkorta I. et al. A theoretical study of the conformation of meso-tetraphenylporphyrin (TPPH2), its anions, cations and metal complexes (Mg2+, Ca2+ and Zn2+) // Journal of Porphyrins and Phthalocyanines. 2010. Vol. 14. No. 07. pp. 630-638.
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Alkorta I., Elguero J., Silva A. M. S., Tomé A. C. A theoretical study of the conformation of meso-tetraphenylporphyrin (TPPH2), its anions, cations and metal complexes (Mg2+, Ca2+ and Zn2+) // Journal of Porphyrins and Phthalocyanines. 2010. Vol. 14. No. 07. pp. 630-638.
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TY - JOUR
DO - 10.1142/S1088424610002409
UR - https://doi.org/10.1142/S1088424610002409
TI - A theoretical study of the conformation of meso-tetraphenylporphyrin (TPPH2), its anions, cations and metal complexes (Mg2+, Ca2+ and Zn2+)
T2 - Journal of Porphyrins and Phthalocyanines
AU - Alkorta, Ibon
AU - Elguero, José
AU - Silva, Artur M. S.
AU - Tomé, Augusto C.
PY - 2010
DA - 2010/09/29
PB - World Scientific
SP - 630-638
IS - 07
VL - 14
SN - 1088-4246
SN - 1099-1409
ER -
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@article{2010_Alkorta,
author = {Ibon Alkorta and José Elguero and Artur M. S. Silva and Augusto C. Tomé},
title = {A theoretical study of the conformation of meso-tetraphenylporphyrin (TPPH2), its anions, cations and metal complexes (Mg2+, Ca2+ and Zn2+)},
journal = {Journal of Porphyrins and Phthalocyanines},
year = {2010},
volume = {14},
publisher = {World Scientific},
month = {sep},
url = {https://doi.org/10.1142/S1088424610002409},
number = {07},
pages = {630--638},
doi = {10.1142/S1088424610002409}
}
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Alkorta, Ibon, et al. “A theoretical study of the conformation of meso-tetraphenylporphyrin (TPPH2), its anions, cations and metal complexes (Mg2+, Ca2+ and Zn2+).” Journal of Porphyrins and Phthalocyanines, vol. 14, no. 07, Sep. 2010, pp. 630-638. https://doi.org/10.1142/S1088424610002409.