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

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Structural Transformations of [CuEn ₃]WO₄ Complex Salt in the Range 100–390 K and Its Degradation to [CuEn ₂](WO₄)·2H₂O. / Khranenko, S. P.; Sukhikh, A. S.; Komarov, V. Yu и др.

в: Journal of Structural Chemistry, Том 60, № 11, 01.11.2019, стр. 1790-1798.

Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование

BibTeX

@article{c13095e00806412380924e9ff597975f,

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

abstract = "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) {\AA}, c = 9.9405(3) {\AA}, space group P{\=3}, V = 6600.8(4) {\AA}3, Z = 18. Copper atomic coordination is a distorted square bipyramid. Four short Cu–N distances are within 2.038(5)–2.110(6) {\AA}; two long distances are within 2.374(8)–2.514(7) {\AA}. The lengths of N–H…O interionic contacts lie within 1.96–2.17 {\AA}. A temperature elevation makes the Cu–N distances equal: at 298 K they are within 2.066(2)–2.256(3) {\AA}(a = 16.0391(8) {\AA}, c = 9.9608(6) {\AA}, space group P{\=3}c1, V = 2219.1(3) {\AA}3, Z = 6), and at 390 K they are 2.151(6) {\AA}(a = 9.2986(10) {\AA}, c = 10.0520(14) {\AA}, P{\=3}1c, V = 752.7(2) {\AA}3, Z = 2). In the range from 100 K to 390 K the average W–O distances decrease from 1.776 {\AA} to 1.734 {\AA}. 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.",

keywords = "complex salt, copper bis(ethylenediamine), copper tris(ethylenediamine), crystal chemistry, Jahn–Teller effect, thermal decomposition, tungstate anion, X-ray crystallographic analysis, CRYSTAL-STRUCTURES, DISTORTIONS, Jahn-Teller effect, FEATURES, PHASE-TRANSITION, SPECTRA",

author = "Khranenko, {S. P.} and Sukhikh, {A. S.} and Komarov, {V. Yu} and Gromilov, {S. A.}",

note = "Publisher Copyright: {\textcopyright} 2019, Pleiades Publishing, Inc. Copyright: Copyright 2019 Elsevier B.V., All rights reserved. Publisher Copyright: {\textcopyright} 2019, Pleiades Publishing, Inc.",

year = "2019",

month = nov,

day = "1",

doi = "10.1134/S002247661911012X",

language = "English",

volume = "60",

pages = "1790--1798",

journal = "Journal of Structural Chemistry",

issn = "0022-4766",

publisher = "Springer GmbH & Co, Auslieferungs-Gesellschaf",

number = "11",

}

RIS

TY - JOUR

T1 - Structural Transformations of [CuEn 3]WO4 Complex Salt in the Range 100–390 K and Its Degradation to [CuEn 2](WO4)·2H2O

AU - Khranenko, S. P.

AU - Sukhikh, A. S.

AU - Komarov, V. Yu

AU - Gromilov, S. A.

PY - 2019/11/1

Y1 - 2019/11/1

N2 - 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.

AB - 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.

KW - complex salt

KW - copper bis(ethylenediamine)

KW - copper tris(ethylenediamine)

KW - crystal chemistry

KW - Jahn–Teller effect

KW - thermal decomposition

KW - tungstate anion

KW - X-ray crystallographic analysis

KW - CRYSTAL-STRUCTURES

KW - DISTORTIONS

KW - Jahn-Teller effect

KW - FEATURES

KW - PHASE-TRANSITION

KW - SPECTRA

UR - http://www.scopus.com/inward/record.url?scp=85076534143&partnerID=8YFLogxK

U2 - 10.1134/S002247661911012X

DO - 10.1134/S002247661911012X

M3 - Article

AN - SCOPUS:85076534143

VL - 60

SP - 1790

EP - 1798

JO - Journal of Structural Chemistry

JF - Journal of Structural Chemistry

SN - 0022-4766

IS - 11

ER -

ID: 23002328