Investigation of Acidic and Coordination Properties of Octabromo-Substituted Porphyrins in the System of 1,8-Diazabicyclo[5,4,0]unde-7-ene-Acetonitrile
- 作者: Pukhovskaya S.1, Ivanova Y.2, Semeikin A.1, Syrbu S.1, Kruk N.3
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隶属关系:
- Ivanovo State University of Chemistry and Technology
- G.A. Krestov Institute of Solution Chemistry
- Belarusian State Technological University
- 期: 卷 89, 编号 6 (2019)
- 页面: 1286-1296
- 栏目: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/222961
- DOI: https://doi.org/10.1134/S1070363219060252
- ID: 222961
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详细
Acidity and metal ion coordination are described for three porphyrin derivatives, different in their macrocycle conformation and electronic substitution effects due to bromine substitution in pyrrole rings and trifluorometyl or phenyl groups in meso-positions. Combination of these facts allows modulating both steric and electronic effects on the macrocycle π-conjugated system. The role of electronic substitution effects in the macrocycle deprotonation and metal ion complex formation is found dominating with comparable resonance and inductive contributions, whereas non-planar conformation of reactive species contributes to the reaction rates to a lesser extent. The interaction of two single-electron (a1ueg) and (a2ueg) configurations is studied as a function of non-planar distortions of the molecular structure for the three tetrapyrrole compounds. The additive influence of disturbing factors on the configuration interaction of single-electron (a1ueg) and (a2ueg) configurations in the tetrapyrrole macrocycle is demonstrated.
作者简介
S. Pukhovskaya
Ivanovo State University of Chemistry and Technology
编辑信件的主要联系方式.
Email: svetlana.puhovskaya@mail.ru
俄罗斯联邦, pr. Sheremetevskii 7, Ivanovo, 153460
Yu. Ivanova
G.A. Krestov Institute of Solution Chemistry
编辑信件的主要联系方式.
Email: jjiv@yandex.ru
俄罗斯联邦, ul. Akademicheskaya 1, Ivanovo, 153045
A. Semeikin
Ivanovo State University of Chemistry and Technology
Email: krukmikalai@yahoo.com
俄罗斯联邦, pr. Sheremetevskii 7, Ivanovo, 153460
S. Syrbu
Ivanovo State University of Chemistry and Technology
Email: krukmikalai@yahoo.com
俄罗斯联邦, pr. Sheremetevskii 7, Ivanovo, 153460
N. Kruk
Belarusian State Technological University
编辑信件的主要联系方式.
Email: krukmikalai@yahoo.com
白俄罗斯, ul. Sverdlova 13a, Minsk, 220006
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