Structural Transformations of [CuEn 3]WO4 Complex Salt in the Range 100–390 K and Its Degradation to [CuEn 2](WO4)·2H2O

Результат исследования: Научные публикации в периодических изданияхстатья


The crystal structure of [CuEn3]WO4 (En is ethylenediamine) is studied in the temperature range 100–390 K. Crystallographic data at 100 K are: a = 27.6903(8) Å, c = 9.9405(3) Å, space group P3̄, V = 6600.8(4) Å3, Z = 18. Copper atomic coordination is a distorted square bipyramid. Four short Cu–N distances are within 2.038(5)–2.110(6) Å; two long distances are within 2.374(8)–2.514(7) Å. The lengths of N–H…O interionic contacts lie within 1.96–2.17 Å. A temperature elevation makes the Cu–N distances equal: at 298 K they are within 2.066(2)–2.256(3) Å(a = 16.0391(8) Å, c = 9.9608(6) Å, space group P3̄c1, V = 2219.1(3) Å3, Z = 6), and at 390 K they are 2.151(6) Å(a = 9.2986(10) Å, c = 10.0520(14) Å, P3̄1c, V = 752.7(2) Å3, Z = 2). In the range from 100 K to 390 K the average W–O distances decrease from 1.776 Å to 1.734 Å. Hirshfeld surfaces of complex cations are analyzed. It is shown that with increasing temperature the number of interionic N–H…O contacts decreases. The [CuEn3]WO4 phase is found to be unstable and on storing in air it transforms into [CuEn2](WO4)·2H2O.

Язык оригиналаанглийский
Страницы (с-по)1790-1798
Число страниц9
ЖурналJournal of Structural Chemistry
Номер выпуска11
СостояниеОпубликовано - 1 ноя 2019

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