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1H NMR spectral analysis of structural features in a series of paramagnetic homoleptic binuclear triple-decker phthalocyaninato lanthanide complexesстатья
- Авторы: Martynov Alexander G., Polovkova Marina A., Kirakosyan Gayane A., Zapolotsky Evgeny N., Babailov Sergey P., Gorbunova Yulia G.
- Журнал: Polyhedron
- Том: 219
- Год издания: 2022
- Издательство: Pergamon Press
- Местоположение издательства: United States
- Первая страница: 115792
- DOI: 10.1016/j.poly.2022.115792
- Аннотация: AbstractThe search for efficient methods of comparative structural investigations of coordination compounds in solid state and solutions is a very relevant task. In this study, structural assignments in a series of Ln2[(15C5)4Pc]3 complexes (where [(15C5)4Pc]2- is 2,3,9,10,16,17,24,25-tetrakis(15-crown-5)phthalocyaninato-dianion, Ln = Nd3+, Tb3+, Dy3+, Ho3+, Er3+ and Tm3+) was performed using NMR relaxation and paramagnetic lanthanide-induced shifts (LIS) data. Analysis of the paramagnetic chemical shifts and relaxation rates evidenced of isostructurality of the complete series of the investigated triple-decker complexes in the solutions. The performed systematic DFT calculations for a series of model complexes with methoxy-substituted ligands Ln2[(MeO)8Pc]3 demonstrate that the calculated geometrical factors are in agreement with characteristics extracted from experimental NMR data.
- Добавил в систему: Горбунова Юлия Германовна