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| ImageFile2 =
| ImageFile2 =
| ImageSize2 = 200px
| ImageSize2 = 200px
| Name = potassium trichloridocuprate(II)<br/>
| Name = potassium trichloridocuprate(II)
⚫
| OtherNames = {{ubl|
potassium trichlorocuprate(II)<br/>
potassium copper(II) trichloride
* potassium trichlorocuprate(II)
* potassium copper(II) trichloride
⚫
| OtherNames =
}}
|Section1={{Chembox Identifiers
|Section1={{Chembox Identifiers
| ChemSpiderID_Ref = {{chemspidercite|??|chemspider}}
| ChemSpiderID_Ref = {{chemspidercite|??|chemspider}}
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}}
}}
|Section2={{Chembox Properties
|Section2={{Chembox Properties
| Formula = KCuCl<sub>3
| Formula = KCuCl<sub>3</sub>
| K=1 | Cu=1 | Cl=3
| MolarMass = 209.00
| Appearance = garnet-red crystals<ref name=peko2015/>
| Appearance = garnet-red crystals<ref name=peko2015/>
| Density = 2.86 g/cm<sup>3</sup><ref name=peko2015/>
| Density = 2.86 g/cm<sup>3</sup><ref name=peko2015/>
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}}
}}


'''Potassium trichloridocuprate(II)''' is a [[salt (chemistry)|salt]] with [[elemental formula|chemical formula]] {{chem2|KCuCl3}}, more properly {{chem2|[K(+)]2[Cu2Cl4(2-)]}}.<ref name=smit1976/><ref name=pubchem/>
'''Potassium trichloridocuprate(II)''' is a [[salt (chemistry)|salt]] with [[elemental formula|chemical formula]] {{chem2|KCuCl3}}, more properly {{chem2|[K(+)]2[Cu2Cl6(2-)]}}.<ref name=smit1976/><ref name=pubchem/>


It is a member of the "halide" sub-family of [[perovskite]] materials with general formula {{chem2|''ABX''3}} where {{chem2|''A''}} is a monovalent cation, {{chem2|''B''}} is a divalent cation, and {{chem2|''X''}} is a [[halide]] anion.<ref name=mcmu1969/>
It is a member of the "halide" sub-family of [[perovskite]] materials with general formula {{chem2|''ABX''3}} where {{chem2|''A''}} is a monovalent cation, {{chem2|''B''}} is a divalent cation, and {{chem2|''X''}} is a [[halide]] anion.<ref name=mcmu1969/>
Line 92: Line 93:


==Preparation and properties==
==Preparation and properties==
The compound can be obtained by evaporation of a solution of [[potassium chloride]] {{chem2|KCl}} and [[copper(II) chloride]] {{chem2|CuCl2}} in 1:1 mole ratio.<ref name=smit1976/>
The compound can be obtained by evaporation of a solution of [[potassium chloride]] {{chem2|KCl}} and [[copper(II) chloride]] {{chem2|CuCl2}} in 1:1 mole ratio.<ref name=smit1976/>


The anhydrous form is [[garnet]]-red.<ref name=will1963/> It can be crystallized from a molten mixture of potassium chloride {{chem2|KCl}} and copper(II) chloride {{chem2|CuCl2}}.<ref name=kato1999/><ref name=kuro2012/> or by evaporation from a solution of the salts in [[ethanol]].<ref name=mcmu1969/> It is very hygroscopic,<ref name=mcmu1969/> and soluble in [[methanol]] and [[ethanol]].<ref name=kuro2012/> It is antiferromagnetic below 30 [[kelvin|K]], and [[pleochroism|pleochroic]], with maximum visible absorption when the [[electric field|electric vector]] is parallel to the Cu–Cu vector of the dimer.<ref name=will1963/><ref name=cava1999/>
The anhydrous form is [[garnet]]-red.<ref name=will1963/> It can be crystallized from a molten mixture of potassium chloride {{chem2|KCl}} and copper(II) chloride {{chem2|CuCl2}}.<ref name=kato1999/><ref name=kuro2012/> or by evaporation from a solution of the salts in [[ethanol]].<ref name=mcmu1969/> It is very hygroscopic,<ref name=mcmu1969/> and soluble in [[methanol]] and [[ethanol]].<ref name=kuro2012/> It is antiferromagnetic below 30 [[kelvin|K]], and [[pleochroism|pleochroic]], with maximum visible absorption when the [[electric field|electric vector]] is parallel to the Cu–Cu vector of the dimer.<ref name=will1963/><ref name=cava1999/>
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occupy the edges and the centre of the cell's projection on the ''bc'' plane.<ref name=peko2015/><ref name=cava2000/><ref name=will1963/> The potassium atoms are located between these columns; each {{chem2|K(+)}} cation is surrounded by nine chlorine atoms.<ref name=peko2015/> The mineral is optically biaxial (negative), with ''α'' = 1.653, ''β'' = 1.780, ''γ'' = 1.900', 2''V''= 85°. The mineral is named from the Latin ''sanguis'' (blood), alluding to its color.<ref name=peko2015/>
occupy the edges and the centre of the cell's projection on the ''bc'' plane.<ref name=peko2015/><ref name=cava2000/><ref name=will1963/> The potassium atoms are located between these columns; each {{chem2|K(+)}} cation is surrounded by nine chlorine atoms.<ref name=peko2015/> The mineral is optically biaxial (negative), with ''α'' = 1.653, ''β'' = 1.780, ''γ'' = 1.900', 2''V''= 85°. The mineral is named from the Latin ''sanguis'' (blood), alluding to its color.<ref name=peko2015/>


Theoretical calculations for this topology give the lattice parameters as ''a'' = 1388.1 pm, ''b'' = 427.7 pm, ''c'' = 896.5 pm, ''α'' = 79.855°, cell volume ''V'' = 0.523891 nm<sup>3</sup>, calculated density 2.65 g/cm<sup>3</sup>.<ref name=pers2016/>
Theoretical calculations for this topology give the lattice parameters as ''a'' = 1388.1 pm, ''b'' = 427.7 pm, ''c'' = 896.5 pm, ''α'' = 79.855°, cell volume ''V'' = 0.523891&nbsp;nm<sup>3</sup>, calculated density 2.65 g/cm<sup>3</sup>.<ref name=pers2016/>


===Theoretical===
===Theoretical===
An alternative theoretical structure for the compound has a [[cubic crystal system]], symmetry group ''P''m3m[221], with the copper atoms arranged as corners of a cubic grid, a potassium atom at the center of each cube and a chlorine atom at the midpoint of each edge. The latice parameters are ''a'' = ''b'' = ''c'' = 485.8 pm, ''V'' = 0.114684 nm<sup>3</sup>, predicted density 3.03 g/cm3.<ref name=pers2017/>
An alternative theoretical structure for the compound has a [[cubic crystal system]], symmetry group ''P''m3m[221], with the copper atoms arranged as corners of a cubic grid, a potassium atom at the center of each cube and a chlorine atom at the midpoint of each edge. The latice parameters are ''a'' = ''b'' = ''c'' = 485.8 pm, ''V'' = 0.114684&nbsp;nm<sup>3</sup>, predicted density 3.03 g/cm3.<ref name=pers2017/>


==References==
==References==
Line 113: Line 114:
<ref name=pubchem>"[https://pubchem.ncbi.nlm.nih.gov/compound/Potassium-trichlorocuprate_1 Potassium trichlorocuprate(1-)]". Chemical page 44145367 at the ''PubChem'' website. Accessed on 2022-07-18.</ref>
<ref name=pubchem>"[https://pubchem.ncbi.nlm.nih.gov/compound/Potassium-trichlorocuprate_1 Potassium trichlorocuprate(1-)]". Chemical page 44145367 at the ''PubChem'' website. Accessed on 2022-07-18.</ref>


<ref name=mcmu1969>H. F. McMurdie, J. de Groot, M. Morris, and H. E. Swanson (1969): "Crystallography and Preparation of Some ABCl<sub>3</sub> Compounds". ''Journal of Research of the National Bureau of Standards - Series A: Physics and Chemistry'', volume 73A, issue 6, pages 621–626. {{doi|10.6028/jres.073A.049}}</ref>
<ref name=mcmu1969>{{cite journal | doi=10.6028/jres.073A.049 | title=Crystallography and preparation of some ABCl<sub>3</sub> compounds | year=1969 | last1=McMurdie | first1=H.F. | last2=De Groot | first2=J. | last3=Morris | first3=M. | last4=Swanson | first4=H.E. | journal=Journal of Research of the National Bureau of Standards Section A | volume=73A | issue=6 | page=621 }}</ref>


<ref name=will1963>Roger D. Willett, Claudius Dwiggins Jr., R. F. Kruh, and R. E. Rundle (1963): "Crystal Structures of KCuCl<sub>3</sub> and NH4CuCl<sub>3</sub>". ''The Journal of Chemical Physics'', volume 38, issue 10, pages 2429-. {{doi|10.1063/1.1733520}}</ref>
<ref name=will1963>{{cite journal | doi=10.1063/1.1733520 | title=Crystal Structures of KCuCl<sub>3</sub> and NH<sub>4</sub>CuCl<sub>3</sub> | year=1963 | last1=Willett | first1=Roger D. | last2=Dwiggins | first2=Claudius | last3=Kruh | first3=R. F. | last4=Rundle | first4=R. E. | journal=The Journal of Chemical Physics | volume=38 | issue=10 | pages=2429–2436 | bibcode=1963JChPh..38.2429W }}</ref>


<ref name=kato1999>T Kato, A Oosawa, K Takatsu, H Tanaka, W Shiramura, K Nakajima, K Kakurai (1999): "Magnetic excitations in the spin gap system KCuCl<sub>3</sub> and TlCuCl<sub>3</sub>". ''Journal of Physics and Chemistry of Solids'', volume 60, issues 8–9, pages 1125-1128. {{doi|10.1016/S0022-3697(99)00072-4}}</ref>
<ref name=kato1999>{{cite journal | doi=10.1016/S0022-3697(99)00072-4 | title=Magnetic excitations in the spin gap system KCuCl<sub>3</sub> and TlCuCl<sub>3</sub> | year=1999 | last1=Kato | first1=T. | last2=Oosawa | first2=A. | last3=Takatsu | first3=K. | last4=Tanaka | first4=H. | last5=Shiramura | first5=W. | last6=Nakajima | first6=K. | last7=Kakurai | first7=K. | journal=Journal of Physics and Chemistry of Solids | volume=60 | issue=8–9 | pages=1125–1128 | bibcode=1999JPCS...60.1125K }}</ref>


<ref name=kuro2012>H. Kuroe, N. Takami, N. Niwa, T. Sekine, M. Matsumoto, F. Yamada, H. Tanaka, K. Takemura (2012): "[https://arxiv.org/abs/1209.0235 Longitudinal magnetic excitation in KCuCl<sub>3</sub> studied by Raman scattering under hydrostatic pressures]". ''arXiv'' repository, paper 1209.0235. {{doi|10.48550/arXiv.1209.0235}}</ref>
<ref name=kuro2012>{{cite journal | arxiv=1209.0235 | doi=10.1088/1742-6596/400/3/032042 | title=Longitudinal magnetic excitation in KCuCl<sub>3</sub> studied by Raman scattering under hydrostatic pressures | year=2012 | last1=Kuroe | first1=H. | last2=Takami | first2=N. | last3=Niwa | first3=N. | last4=Sekine | first4=T. | last5=Matsumoto | first5=M. | last6=Yamada | first6=F. | last7=Tanaka | first7=H. | last8=Takemura | first8=K. | journal=Journal of Physics: Conference Series | volume=400 | issue=3 | page=032042 | bibcode=2012JPhCS.400c2042K | s2cid=96200315 }}</ref>


<ref name=cava2000>N. Cavadini, G Heigold, W. Henggeler, A. Furrer, H.-U. Güdel, K. Krämer, and H. Mutka (2000): "Quantum magnetic interactions in '''''S''''' = 1/2 KCuCl<sub>3</sub>". ''Journal of Physics: Condensed Matter'', volume 12, issue 25, pages 5463-5472. {{doi|10.1088/0953-8984/12/25/310}}</ref>
<ref name=cava2000>{{cite journal | doi=10.1088/0953-8984/12/25/310 | title=Quantum magnetic interactions in ''S'' = 1/2 KCuCl<sub>3</sub> | year=2000 | last1=Cavadini | first1=N. | last2=Heigold | first2=G. | last3=Henggeler | first3=W. | last4=Furrer | first4=A. | last5=Güdel | first5=H-U | last6=Krämer | first6=K. | last7=Mutka | first7=H. | journal=Journal of Physics: Condensed Matter | volume=12 | issue=25 | pages=5463–5472 | bibcode=2000JPCM...12.5463C | s2cid=250757988 }}</ref>


<ref name=cava1999>N. Cavadini, W. Henggeler, A. Furrer, H.-U. Güdel, K. Krämer, and H. Mutka (1999): "Magnetic excitations in the quantum spin system KCuCl3".''European Journal of Physics'', volume B 7, pages 519-522. {{doi|10.1007/s100510050642}}.</ref>
<ref name=cava1999>{{cite journal | doi=10.1007/s100510050642 | title=Magnetic excitations in the quantum spin system KCuCl | year=1999 | last1=Cavadini | first1=N. | last2=Henggeler | first2=W. | last3=Furrer | first3=A. | last4=Güdel | first4=H.-U. | last5=Krämer | first5=K. | last6=Mutka | first6=H. | journal=The European Physical Journal B | volume=7 | issue=4 | pages=519–522 | bibcode=1999EPJB....7..519C | s2cid=115539179 }}</ref>


<ref name=pers2016>Kristin Persson (2016): "[https://materialsproject.org/materials/mp-27450/ Materials Data on KCuCl<sub>3</sub> (SG:14)". Page at the ''Materials Project'' website. Accessed 0n 2022-07-18. {{doi|10.17188/1201674}}</ref>
<ref name=pers2016>{{cite journal | doi=10.17188/1201674 | year=2020 | author1=None Available | title=Materials Data on KCuCl<sub>3</sub> by Materials Project | publisher=LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States) }}</ref>


<ref name=pers2017>Kristin Persson (2017): "[https://materialsproject.org/materials/mp-1023129/ Materials Data on KCuCl<sub>3</sub> (SG:221)". Page at the ''Materials Project'' website. Accessed 0n 2022-07-18. {{doi|10.17188/1354951}}</ref>
<ref name=pers2017>{{cite journal | doi=10.17188/1354951 | year=2017 | author1=None Available | title=Materials Data on KCuCl<sub>3</sub> (SG:221) by Materials Project | publisher=LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States) }}</ref>


<ref name=smit1976>D. W. Smith (1976), ''Chlorocuprates(II)''. Coordination Chemistry Reviews, volume 21, issues 2-3, pages 93-158. {{doi|10.1016/S0010-8545(00)80445-2}}</ref>
<ref name=smit1976>{{cite journal | doi=10.1016/S0010-8545(00)80445-2 | title=Chlorocuprates(II) | year=1976 | last1=Smith | first1=D.W. | journal=Coordination Chemistry Reviews | volume=21 | issue=2–3 | pages=93–158 }}</ref>


<ref name=peko2015>Igor V. Pekov, Natalia V. Zubkova, Dmitry I. Belakovskiy, Inna S. Lykova, Vasiliy O. Yapaskurt, Marina F. Vigasina, Evgeny G. Sidorov, Dmitry Yu. Pushcharovsky (2015): "Sanguite, KCuCl<sub>3</sub>, a New Mineral from the Tolbachik Volcano, Kamchatka, Russia ". ''The Canadian Mineralogist'', volume 53, issue 4, pages 633–641. {{doi|10.3749/canmin.1500012}}</ref>
<ref name=peko2015>{{cite journal | doi=10.3749/canmin.1500012 | title=Sanguite, KCuCl<sub>3</sub>, A New Mineral from the Tolbachik Volcano, Kamchatka, Russia | year=2015 | last1=Pekov | first1=Igor V. | last2=Zubkova | first2=Natalia V. | last3=Belakovskiy | first3=Dmitry I. | last4=Lykova | first4=Inna S. | last5=Yapaskurt | first5=Vasiliy O. | last6=Vigasina | first6=Marina F. | last7=Sidorov | first7=Evgeny G. | last8=Pushcharovsky | first8=Dmitry Yu. | journal=The Canadian Mineralogist | volume=53 | issue=4 | pages=633–641 }}</ref>


</references>
</references>

[[Category:Chloro complexes]]
[[Category:Copper(II) compounds]]
[[Category:Potassium compounds]]

Latest revision as of 18:20, 23 August 2023

potassium trichloridocuprate(II)
Names
Other names
    • potassium trichlorocuprate(II)
    • potassium copper(II) trichloride
Identifiers
3D model (JSmol)
ChemSpider
EC Number
  • 237-639-1
  • InChI=1S/3ClH.Cu.K/h3*1H;;/q;;;+2;+1/p-3
    Key: SZNHAWRQQIZIBK-UHFFFAOYSA-K
  • Cl[Cu-](Cl)Cl.[K+]
Properties
KCuCl3
Molar mass 208.99 g·mol−1
Appearance garnet-red crystals[1]
Density 2.86 g/cm3[1]
Solubility methanol,[2] ethanol[2]
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).

Potassium trichloridocuprate(II) is a salt with chemical formula KCuCl3, more properly [K+]2[Cu2Cl2−6].[3][4]

It is a member of the "halide" sub-family of perovskite materials with general formula ABX3 where A is a monovalent cation, B is a divalent cation, and X is a halide anion.[5]

The compound occurs in nature as the bright red mineral sanguite.[1]

The compound is also called potassium trichlorocuprate(II), potassium copper(II) trichloride, potassium cupric chloride and other similar names. The latter is used also for potassium tetrachloridocuprate(II) K2CuCl4.[1]

Preparation and properties

[edit]

The compound can be obtained by evaporation of a solution of potassium chloride KCl and copper(II) chloride CuCl2 in 1:1 mole ratio.[3]

The anhydrous form is garnet-red.[6] It can be crystallized from a molten mixture of potassium chloride KCl and copper(II) chloride CuCl2.[7][2] or by evaporation from a solution of the salts in ethanol.[5] It is very hygroscopic,[5] and soluble in methanol and ethanol.[2] It is antiferromagnetic below 30 K, and pleochroic, with maximum visible absorption when the electric vector is parallel to the Cu–Cu vector of the dimer.[6][8]

Structure

[edit]

Anhydrous

[edit]

The anhydrous mineral form (sanguite) has the monoclinic crystal structure, with symmetry group P21/c and lattice parameters a = 402.81 pm, b = 1379.06 pm, c = 873.35 pm, and β = 97.137°, cell volume V = 0.48138 nm3, and formulas per cell Z = 4.[1][9] The measured density is 2.86 g/cm3, close to the calculated one 2.88 g/cm3. It contains discrete almost planar anions [Cu2Cl6]2−, each with the two copper atoms connected by two bridging chlorine atoms. These anions are arranged in columns consisting of distorted edge-sharing CuCl6 octahedra, stacked in double chains parallel to the a axis. The columns occupy the edges and the centre of the cell's projection on the bc plane.[1][9][6] The potassium atoms are located between these columns; each K+ cation is surrounded by nine chlorine atoms.[1] The mineral is optically biaxial (negative), with α = 1.653, β = 1.780, γ = 1.900', 2V= 85°. The mineral is named from the Latin sanguis (blood), alluding to its color.[1]

Theoretical calculations for this topology give the lattice parameters as a = 1388.1 pm, b = 427.7 pm, c = 896.5 pm, α = 79.855°, cell volume V = 0.523891 nm3, calculated density 2.65 g/cm3.[10]

Theoretical

[edit]

An alternative theoretical structure for the compound has a cubic crystal system, symmetry group Pm3m[221], with the copper atoms arranged as corners of a cubic grid, a potassium atom at the center of each cube and a chlorine atom at the midpoint of each edge. The latice parameters are a = b = c = 485.8 pm, V = 0.114684 nm3, predicted density 3.03 g/cm3.[11]

References

[edit]
  1. ^ a b c d e f g h Pekov, Igor V.; Zubkova, Natalia V.; Belakovskiy, Dmitry I.; Lykova, Inna S.; Yapaskurt, Vasiliy O.; Vigasina, Marina F.; Sidorov, Evgeny G.; Pushcharovsky, Dmitry Yu. (2015). "Sanguite, KCuCl3, A New Mineral from the Tolbachik Volcano, Kamchatka, Russia". The Canadian Mineralogist. 53 (4): 633–641. doi:10.3749/canmin.1500012.
  2. ^ a b c d Kuroe, H.; Takami, N.; Niwa, N.; Sekine, T.; Matsumoto, M.; Yamada, F.; Tanaka, H.; Takemura, K. (2012). "Longitudinal magnetic excitation in KCuCl3 studied by Raman scattering under hydrostatic pressures". Journal of Physics: Conference Series. 400 (3): 032042. arXiv:1209.0235. Bibcode:2012JPhCS.400c2042K. doi:10.1088/1742-6596/400/3/032042. S2CID 96200315.
  3. ^ a b Smith, D.W. (1976). "Chlorocuprates(II)". Coordination Chemistry Reviews. 21 (2–3): 93–158. doi:10.1016/S0010-8545(00)80445-2.
  4. ^ "Potassium trichlorocuprate(1-)". Chemical page 44145367 at the PubChem website. Accessed on 2022-07-18.
  5. ^ a b c McMurdie, H.F.; De Groot, J.; Morris, M.; Swanson, H.E. (1969). "Crystallography and preparation of some ABCl3 compounds". Journal of Research of the National Bureau of Standards Section A. 73A (6): 621. doi:10.6028/jres.073A.049.
  6. ^ a b c Willett, Roger D.; Dwiggins, Claudius; Kruh, R. F.; Rundle, R. E. (1963). "Crystal Structures of KCuCl3 and NH4CuCl3". The Journal of Chemical Physics. 38 (10): 2429–2436. Bibcode:1963JChPh..38.2429W. doi:10.1063/1.1733520.
  7. ^ Kato, T.; Oosawa, A.; Takatsu, K.; Tanaka, H.; Shiramura, W.; Nakajima, K.; Kakurai, K. (1999). "Magnetic excitations in the spin gap system KCuCl3 and TlCuCl3". Journal of Physics and Chemistry of Solids. 60 (8–9): 1125–1128. Bibcode:1999JPCS...60.1125K. doi:10.1016/S0022-3697(99)00072-4.
  8. ^ Cavadini, N.; Henggeler, W.; Furrer, A.; Güdel, H.-U.; Krämer, K.; Mutka, H. (1999). "Magnetic excitations in the quantum spin system KCuCl". The European Physical Journal B. 7 (4): 519–522. Bibcode:1999EPJB....7..519C. doi:10.1007/s100510050642. S2CID 115539179.
  9. ^ a b Cavadini, N.; Heigold, G.; Henggeler, W.; Furrer, A.; Güdel, H-U; Krämer, K.; Mutka, H. (2000). "Quantum magnetic interactions in S = 1/2 KCuCl3". Journal of Physics: Condensed Matter. 12 (25): 5463–5472. Bibcode:2000JPCM...12.5463C. doi:10.1088/0953-8984/12/25/310. S2CID 250757988.
  10. ^ None Available (2020). "Materials Data on KCuCl3 by Materials Project". LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). doi:10.17188/1201674. {{cite journal}}: Cite journal requires |journal= (help)
  11. ^ None Available (2017). "Materials Data on KCuCl3 (SG:221) by Materials Project". LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). doi:10.17188/1354951. {{cite journal}}: Cite journal requires |journal= (help)
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