TY - JOUR

T1 - Technetium(I) Dicarbonyl Complexes with NN-Aromatic Diimines

AU - Мирославов, Александр Евгеньевич

AU - Бабитова, Екатерина Сергеевна

AU - Бречалов, Александр Алексеевич

AU - Гуржий, Владислав Владимирович

AU - Сахоненкова, Анна Павловна

AU - Иванов, Даниил Михайлович

AU - Тюпина, Маргарита Юрьевна

AU - Гаврищук, Семён О.

AU - Тупикина, Елена Юрьевна

PY - 2026/6/11

Y1 - 2026/6/11

N2 - Technetium(I) dicarbonyl complexes [99Tc(NN)2(CO)2]OTf (NN = 2,2′-bipyridine and 1,10-phenanthroline) were prepared for the first time by treatment of [99Tc(OTf)(CO)5] in a melt of the corresponding heterocycle. The dicarbonyl complexes were isolated in the form of red crystals and unambiguously characterized by 1H and 99Tc NMR and IR spectroscopy and SCXRD. These complexes are robust and do not undergo further decarbonylation. The possibility of formation of monocarbonyl [99Tc(NN)2(py)(CO)]+ and carbonyl-free [Tc(NN)3]+ complexes by decarbonylation of [99Tc(NN)2(CO)2]+ was analyzed with the aid of DFT calculations. It was shown that the formation of these complexes is thermodynamically unfavorable both at room and elevated temperatures.

AB - Technetium(I) dicarbonyl complexes [99Tc(NN)2(CO)2]OTf (NN = 2,2′-bipyridine and 1,10-phenanthroline) were prepared for the first time by treatment of [99Tc(OTf)(CO)5] in a melt of the corresponding heterocycle. The dicarbonyl complexes were isolated in the form of red crystals and unambiguously characterized by 1H and 99Tc NMR and IR spectroscopy and SCXRD. These complexes are robust and do not undergo further decarbonylation. The possibility of formation of monocarbonyl [99Tc(NN)2(py)(CO)]+ and carbonyl-free [Tc(NN)3]+ complexes by decarbonylation of [99Tc(NN)2(CO)2]+ was analyzed with the aid of DFT calculations. It was shown that the formation of these complexes is thermodynamically unfavorable both at room and elevated temperatures.

UR - https://www.mendeley.com/catalogue/70b51e97-313d-3c7f-a0df-4f9113232434/

U2 - 10.1021/acs.inorgchem.6c02170

DO - 10.1021/acs.inorgchem.6c02170

M3 - Article

VL - 65

SP - 15200

EP - 15211

JO - Inorganic Chemistry

JF - Inorganic Chemistry

SN - 0020-1669

IS - 26

ER -