Bis(tetraphenylarsonium) hexachloridozirconate(IV) acetonitrile tetrasolvate

Borjas, Rosendo; Mariappan Balasekaran, Samundeeswari; Poineau, Frederic

doi:10.1107/S241431461800528X

Title: Bis(tetraphenylarsonium) hexachloridozirconate(IV) acetonitrile tetrasolvate

Abstract

The bis(tetraphenylarsonium) hexachloridozirconate(IV) salt, (AsPh ₄ ) ₂ [ZrCl ₆ ] (Ph = C ₆ H ₅ ), was prepared more than 25 years ago [Esmadi & Sutcliffe (1991). Indian J. Chem. 30 A , 99–101], but its crystal structure was never reported. By following a similar experimental procedure, the compound was synthesized and its crystal structure was investigated as a acetonitrile tetrasolvate, (As(C ₆ H ₅ ) ₄ ) ₂ [ZrCl ₆ ]·4CH ₃ CN, by single-crystal X –ray diffraction. The [ZrCl ₆ ] ²⁻ anion adopts a slightly distorted octahedral coordination sphere, with Zr—Cl bond lengths of 2.4586 (6), 2.4723 (6), and 2.4818 (5) Å, and Cl—Zr—Cl angles ranging from 89.602 (19) to 90.397 (19)°.

Authors:

Borjas, Rosendo;

; Poineau, Frederic

Publication Date:: 2018-04-06

Sponsoring Org.:: USDOE

OSTI Identifier:: 1432087

Grant/Contract Number:: NE0008449

Resource Type:: Published Article

Journal Name:: IUCrData

Additional Journal Information:: Journal Name: IUCrData Journal Volume: 3 Journal Issue: 4; Journal ID: ISSN 2414-3146

Publisher:: International Union of Crystallography (IUCr)

Country of Publication:: United Kingdom

Language:: English

Citation Formats


                    Borjas, Rosendo, Mariappan Balasekaran, Samundeeswari, and Poineau, Frederic. Bis(tetraphenylarsonium) hexachloridozirconate(IV) acetonitrile tetrasolvate.  United Kingdom: N. p., 2018. 
Web.  doi:10.1107/S241431461800528X.

Copy to clipboard


                    Borjas, Rosendo, Mariappan Balasekaran, Samundeeswari, & Poineau, Frederic. Bis(tetraphenylarsonium) hexachloridozirconate(IV) acetonitrile tetrasolvate.  United Kingdom.  https://doi.org/10.1107/S241431461800528X

Copy to clipboard


                    Borjas, Rosendo, Mariappan Balasekaran, Samundeeswari, and Poineau, Frederic. Fri .  
"Bis(tetraphenylarsonium) hexachloridozirconate(IV) acetonitrile tetrasolvate".  United Kingdom.  https://doi.org/10.1107/S241431461800528X.

Copy to clipboard


                    
@article{osti_1432087,

  title        = {Bis(tetraphenylarsonium) hexachloridozirconate(IV) acetonitrile tetrasolvate},

  author       = {Borjas, Rosendo and Mariappan Balasekaran, Samundeeswari and Poineau, Frederic},

  abstractNote = {The bis(tetraphenylarsonium) hexachloridozirconate(IV) salt, (AsPh 4 ) 2 [ZrCl 6 ] (Ph = C 6 H 5 ), was prepared more than 25 years ago [Esmadi & Sutcliffe (1991). Indian J. Chem. 30 A , 99–101], but its crystal structure was never reported. By following a similar experimental procedure, the compound was synthesized and its crystal structure was investigated as a acetonitrile tetrasolvate, (As(C 6 H 5 ) 4 ) 2 [ZrCl 6 ]·4CH 3 CN, by single-crystal X –ray diffraction. The [ZrCl 6 ] 2− anion adopts a slightly distorted octahedral coordination sphere, with Zr—Cl bond lengths of 2.4586 (6), 2.4723 (6), and 2.4818 (5) Å, and Cl—Zr—Cl angles ranging from 89.602 (19) to 90.397 (19)°.},

  doi          = {10.1107/S241431461800528X},

  journal      = {IUCrData},

  number       = 4,

  volume       = 3,

  place        = {United Kingdom},

  year         = {2018},

  month        = {4}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Publisher's Version of Record
https://doi.org/10.1107/S241431461800528X

Other availability

Search WorldCat to find libraries that may hold this journal

Save / Share:

Export Metadata

Save to My Library

Works referenced in this record:

Zirconium recovery from zircaloy shavings
journal, July 1996

Bohe, A. E.; Gamboa, J. J. Andrade; Lopasso, E. M.
Journal of Materials Science, Vol. 31, Issue 13
DOI: 10.1007/BF00360750

Preparation and Properties of Ammonium Hexachlorozirconate(IV) and Its Reaction with Gaseous Ammonia
journal, July 1987

Ohashi, Masao; Yamanaka, Shoji; Morimoto, Yuhki
Bulletin of the Chemical Society of Japan, Vol. 60, Issue 7
DOI: 10.1246/bcsj.60.2387

Bis(tetraphenylarsonium) hexabromorhenate(IV)
journal, January 2007

Kochel, Andrzej
Acta Crystallographica Section E Structure Reports Online, Vol. 63, Issue 2
DOI: 10.1107/S1600536807003662

SHELXT – Integrated space-group and crystal-structure determination
journal, January 2015

Sheldrick, George M.
Acta Crystallographica Section A Foundations and Advances, Vol. 71, Issue 1, p. 3-8
DOI: 10.1107/S2053273314026370

publCIF : software for editing, validating and formatting crystallographic information files
journal, June 2010

Westrip, Simon P.
Journal of Applied Crystallography, Vol. 43, Issue 4
DOI: 10.1107/S0021889810022120

Structure studies of technetium complexes. VII. Structure of tetraphenylarsonium hexachlorotechnetate(IV), [As(C6H5)4]2[TcCl6]
journal, August 1984

Baldas, J.; Bonnyman, J.; Samuels, D. L.
Acta Crystallographica Section C Crystal Structure Communications, Vol. 40, Issue 8
DOI: 10.1107/S0108270184007903

The Synthesis and Properties of the Anhydrous Hexachlorozirconates of Sodium and Potassium
journal, May 1964

Lister, R. L.; Flengas, S. N.
Canadian Journal of Chemistry, Vol. 42, Issue 5
DOI: 10.1139/v64-170

Crystal structure refinement with SHELXL
journal, January 2015

Sheldrick, George M.
Acta Crystallographica Section C Structural Chemistry, Vol. 71, Issue 1, p. 3-8
DOI: 10.1107/S2053229614024218

Process Development Studies for Zirconium Recovery/Recycle from used Nuclear Fuel Cladding
journal, January 2012

Collins, E. D.; DelCul, G. D.; Spencer, B. B.
Procedia Chemistry, Vol. 7
DOI: 10.1016/j.proche.2012.10.013

Demonstration of Zr Recovery from 50 g Scale Zircaloy-4 Cladding Hulls using a Chlorination Method [50 g 규모의 Zircaloy-4 피복관으로부터 염소화 방법을 이용한 Zr 회수 거동 연구]
journal, March 2013

Jeon, Min Ku; Lee, Chang Hwa; Lee, You Lee
Journal of the Korean Radioactive Waste Society, Vol. 11, Issue 1
DOI: 10.7733/jkrws.2013.11.1.55

Similar Records in DOE PAGES and OSTI.GOV collections:

Zirconium tetrachloride revisited

Journal Article Borjas Nevarez, Rosendo ; Balasekaran, Samundeeswari Mariappan ; Kim, Eunja ; ... - Acta Crystallographica. Section C, Structural Chemistry (Online)

We present that zirconium tetrachloride, ZrCl₄, is a strategic material with wide-ranging applications. Until now, only one crystallographic study on ZrCl₄has been reported [Krebs (1970).Z. Anorg. Allg. Chem.378, 263–272] and that was more than 40 years ago. The compound used for the previous determination was prepared from ZrO₂ and Cl₂–CCl₄, and single-crystal X-ray diffraction (SCXRD) studies on ZrCl₄ obtained from Zr metal have not yet been reported. In this context, we prepared ZrCl₄ from the reaction of Zr metal and Cl₂ gas in a sealed tube and investigated its structure at 100, 150, 200, 250, and 300 K. At 300more »« less
https://doi.org/10.1107/S205322961800219X

Full Text Available
Bis(tetraphenylarsonium) hexafluoridotechnetate(IV) dihydrate: preparation, structure and spectroscopic analysis

Journal Article Balasekaran, Samundeeswari Mariappan ; Poineau, Frederic - Acta Crystallographica. Section C, Structural Chemistry (Online)

Reports of quadrivalent transition-metal fluoride salts containing bulky organic cations are limited. In this context, we prepared the bis(tetraphenylarsonium) hexafluoridotechnetate(IV) dihydrate salt, (C₂₄H₂₀As)₂[TcF₆]·2H₂O, by a cation metathesis reaction of (NH₄)₂[TcF₆] in water. This is the first report of an arsonium salt of the hexafluoridotechnetate(IV) dianion. (AsPh₄)₂[TcF₆]·2H₂O crystallizes in the triclinic space groupP\overline{1}. The [TcF₆]^2-anion adopts a slightly distorted octahedral geometry with an average Tc—F bond length of 1.933 Å. The cyclic voltammogram of (AsPh₄)₂[TcF₆]·2H₂O in CH₃CN shows a one-electron reversible oxidation wave at 1.496 V.
https://doi.org/10.1107/s2053229619014724
Molecular structures of tris(1- tert -butyl-2-mercaptoimidazolyl)hydroborate complexes of titanium, zirconium and hafnium

Journal Article Rong, Yi ; Sambade, David ; Parkin, Gerard - Acta Crystallographica. Section C, Structural Chemistry (Online)

Cyclopentadienyl and tris(pyrazolyl)hydroborate have found much use as supporting ligands in the chemistry of titanium, zirconium and hafnium, especially with respect to applications involving olefin polymerization catalysis. In contrast, closely related tris(1-alkyl-2-mercaptoimidazolyl)hydroborate, [Tm^R], ligands have so far found little application to the chemistry of these elements, despite the fact that such ligands are currently used extensively in coordination chemistry. In view of the fact that a substituent in the 2-position exerts a direct influence on the steric environment of the metal center, we report here the application of the sterically demanding tris(1-tert-butyl-2-mercaptoimidazolyl)hydroborate [Tm^{{\rm Bu}^{\rm t}}] ligand to these metals. Dichlorido(η⁵-cyclopentadienyl)[tris(1-tert-butyl-2-sulfanylidene-2,3-dihydro-1H-imidazol-3-yl)borato-κ³S,S',H]zirconium(IV)more »« less
https://doi.org/10.1107/s2053229616008925
coordination compounds of uranyl chloride and uranyl nitrate with acetonitrile

Journal Article Kobets, L V ; Bend', N G ; Ksenofotova, N M ; ... - Sov. Radiochem. (Engl. Transl.); (United States)

The complex formation of anhydrous salts, uranylchloride and uranyl nitrate, as well as their crystal hydrates, with acetonitrile was investigated. It was shown that whereas addition products with composition UO/sub 2/Cl/sub 2/.3CH/sub 3/CN and UO/sub 2/(NO/sub 3/)/sub 2/.2CH/sub 3/CN are formed with anhydrous salts, in the case of crystal hydrates of uranyl chloride, the reaction products are polymeric oxo-bridge compounds with the uranium: chlorine ratio equal to 1:1 (U/sub 2/O/sub 5/Cl/sub 2/.4CH/sub 3/CN). It was shown that water molecules are not completely displaced from uranyl nitrate dihydrate by acetonitrile, while UO/sub 2/(NO/sub 3/)/sub 2/.6H/sub 2/O does not react with themmore »« less
Synthesis and structures of zirconium complexes [Et{sub 2}H{sub 2}N]{sup +}{sub 2}[ZrCl{sub 6}]{sup 2–}, [Me{sub 3}NCH{sub 2}Ph]{sup +}{sub 2}[ZrCl{sub 6}]{sup 2–}•MeCN, [Ph{sub 3}PC{sub 6}H{sub 4}(CHPh{sub 2}-4)]{sup +}{sub 2}[ZrCl{sub 6}]{sup 2–}•2 MeCN, and [Ph{sub 4}Sb]{sup +}{sub 2}[ZrCl{sub 6}]{sup 2–}

Journal Article Sharutin, V. V., E-mail: vvsharutin@rambler.ru ; Sharutina, O. K. ; Tarasova, N. M. ; ... - Russian Chemical Bulletin

The complexes [Et{sub 2}H{sub 2}N]{sup +}{sub 2}[ZrCl{sub 6}]{sup 2–} (1), [Me{sub 3}NCH{sub 2}Ph]{sup +}{sub 2}[ZrCl{sub 6}]{sup 2–}•MeCN (2), [Ph{sub 3}PC{sub 6}H{sub 4}(CHPh{sub 2}-4)]{sup +}{sub 2}[ZrCl{sub 6}]{sup 2–}•2 MeCN (3), and [Ph{sub 4}Sb]{sup +}{sub 2}[ZrCl{sub 6}]{sup 2–} (4) were synthesized by the reaction of zirconium tetrachloride with tetraorganylammonium, -phosphonium, and -stibonium chlorides in acetonitrile and structurally characterized. The nitrogen, phosphorus, and antimony atoms in the cations have a distorted tetrahedral geometry. The Zr–Cl distances in the centrosymmetric octahedral [ZrCl{sub 6}]{sup 2−} anions of complexes 1–4 have similar values, the longest bonds being observed in the anion of complex 4. Acetonitrile moleculesmore »« less
https://doi.org/10.1007/S11172-019-2411-9

Similar Records

Title: Bis(tetraphenylarsonium) hexachloridozirconate(IV) acetonitrile tetrasolvate

Abstract

Citation Formats

Zirconium recovery from zircaloy shavings journal, July 1996

Preparation and Properties of Ammonium Hexachlorozirconate(IV) and Its Reaction with Gaseous Ammonia journal, July 1987

Bis(tetraphenylarsonium) hexabromorhenate(IV) journal, January 2007

SHELXT – Integrated space-group and crystal-structure determination journal, January 2015

publCIF : software for editing, validating and formatting crystallographic information files journal, June 2010

Structure studies of technetium complexes. VII. Structure of tetraphenylarsonium hexachlorotechnetate(IV), [As(C6H5)4]2[TcCl6] journal, August 1984

The Synthesis and Properties of the Anhydrous Hexachlorozirconates of Sodium and Potassium journal, May 1964

Crystal structure refinement with SHELXL journal, January 2015

Process Development Studies for Zirconium Recovery/Recycle from used Nuclear Fuel Cladding journal, January 2012

Demonstration of Zr Recovery from 50 g Scale Zircaloy-4 Cladding Hulls using a Chlorination Method [50 g 규모의 Zircaloy-4 피복관으로부터 염소화 방법을 이용한 Zr 회수 거동 연구] journal, March 2013

Zirconium recovery from zircaloy shavings
journal, July 1996

Preparation and Properties of Ammonium Hexachlorozirconate(IV) and Its Reaction with Gaseous Ammonia
journal, July 1987

Bis(tetraphenylarsonium) hexabromorhenate(IV)
journal, January 2007

SHELXT – Integrated space-group and crystal-structure determination
journal, January 2015

publCIF : software for editing, validating and formatting crystallographic information files
journal, June 2010

Structure studies of technetium complexes. VII. Structure of tetraphenylarsonium hexachlorotechnetate(IV), [As(C6H5)4]2[TcCl6]
journal, August 1984

The Synthesis and Properties of the Anhydrous Hexachlorozirconates of Sodium and Potassium
journal, May 1964

Crystal structure refinement with SHELXL
journal, January 2015

Process Development Studies for Zirconium Recovery/Recycle from used Nuclear Fuel Cladding
journal, January 2012

Demonstration of Zr Recovery from 50 g Scale Zircaloy-4 Cladding Hulls using a Chlorination Method [50 g 규모의 Zircaloy-4 피복관으로부터 염소화 방법을 이용한 Zr 회수 거동 연구]
journal, March 2013