The first lead perrhenate crown ether complex [Pb(12-crown-4)(H2O)(ReO4)2]: from rotation of the ReO4 tetrahedra in the (3 + 1)D space using constrained Legendre functions to rotation in the 3D space

Charkin, D.; Grishaev, V.; Kireev, V.; Volkov, S.; Arsent'ev, M.; Vorobiev, S.; Gosteva, A.; Kompanchenko, A.; Khasanov, K.; Krzhizhanovskaya, M.; Aksenov, S.; Petříček, V.

Авторы: Charkin Dmitri, Grishaev Vasili, Kireev Vadim, Volkov Sergey, Arsent'ev Maxim, Vorobiev Stepan, Gosteva Alevtina, Kompanchenko Alena, Khasanov Kirill, Krzhizhanovskaya Maria, Aksenov Sergey, Petříček Václav
Журнал: CrystEngComm
Год издания: 2026
Издательство: Royal Society of Chemistry
Местоположение издательства: United Kingdom
DOI: 10.1039/d5ce01087j
Аннотация: A unique lead perrhenate crown ether complex, [Pb(12-crown-4)(H2O)(ReO4)2], exhibits an incommensurately modulated crystal structure at 101 K. In this (3 + 1)D superspace description, the ReO4− tetrahedra undergo continuous rotation. Describing their continuous rotation required introducing several constraints into the Legendre polynomials describing the displacive modulation of these atoms. At 296 K, the rotation of these tetrahedra is characterized by jumps between certain “stationary” positions. The average structure is monoclinic, P21/c with Z = 4, and can be described as comprising [Pb(C8H16O4)(ReO4)2(H2O)] ribbons. One half of the Pb2+ coordination sphere is occupied by the crown ether ligand, while the other is occupied by the oxygen atoms of water molecules and the perrhenate groups. The latter play two crystallographic roles: one bridging the PbO8 polyhedra and the other acting as a terminal ligand with a very rare monodentate (κ1) coordination. This is probably the reason for the nearly free rotation of these terminal ReO4 groups along the Pb–O–Re axis. The structural chemistry of lead crown ether complexes, even those with relatively simple counteranions, is expected to yield a wide variety of unique and complex structures.
Добавил в систему: Хасанов Кирилл Андреевич

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The first lead perrhenate crown ether complex [Pb(12-crown-4)(H2O)(ReO4)2]: from rotation of the ReO4 tetrahedra in the (3 + 1)D space using constrained Legendre functions to rotation in the 3D spaceстатья Исследовательская статья

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