Non-covalent Cl⋯X interactions in several silver compounds based on [B12Cl12]2− clusters: 35Cl NQR and X-ray diffraction

Kravchenko, E.A.; Gippius, A.A.; Tkachev, A.V.; Zhurenko, S.V.; Golubev, A.V.; Kubasov, A.S.; Selivanov, N.A.; Buzanov, G.A.; Bykov, A.Y.; Zhizhin, K.Y.; Kuznetsov, N.T.

Авторы: Kravchenko E.A., Gippius A.A., Tkachev A.V., Zhurenko S.V., Golubev A.V., Kubasov A.S., Selivanov N.A., Buzanov G.A., Bykov A.Yu, Zhizhin K.Yu, Kuznetsov N.T.
Журнал: Inorganica Chimica Acta
Том: 544
Год издания: 2023
Издательство: Elsevier BV
Местоположение издательства: Netherlands
Номер статьи: 121231
DOI: 10.1016/j.ica.2022.121231
Аннотация: Silver cluster compounds Ag2[B12Cl12](1), Ag(CH3CN)4)2[B12Cl12] (2), and (Ag(CH3CN)2)2[B12Cl12] (3) withvery different types of silver environment in crystals were synthesized and investigated using X-ray diffraction analysis (XRD), X-ray phase analysis and nuclear quadrupole resonance (35Cl NQR). Non-covalent interactions of chlorines with surrounding atoms were identified and analyzed using 35Cl NQR spectroscopy. The results werecompared with those of XRD to show that the “short” contacts between atomic nuclei do not necessarily indicate the presence of an attraction interaction between the corresponding atoms. Numerous weak interhalogen Cl⋯Cl interactions were revealed in 1, while the Ag⋯Cl ineractions seem to be weakened due to high coordination number of silver atom. In 2, no Ag⋯Cl interactions were detected by X-ray diffraction, while non-covalent Cl⋯C, Cl⋯H and Cl⋯Cl interactions were found. As the NQR spectra indicated, interhalogen interactions in 2 appearedto be the strongest of all the others. In 3, interhalogen Cl⋯Cl interactions were the weakest, the largest contribution to the electric field gradient on the Cl atoms being made by silver atoms.
Добавил в систему: Гиппиус Андрей Андреевич

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Non-covalent Cl⋯X interactions in several silver compounds based on [B12Cl12]2− clusters: 35Cl NQR and X-ray diffractionстатья Электронная публикация

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