Anti-electrostatic hydrogen-bonded tellurate dimers captured and stabilized by crystallization of a bis-iminoguanidinium salt

Jeffrey D. Einkauf; Vyacheslav S. Bryantsev; Radu Custelcean

doi:10.1016/j.poly.2022.115990

Anti-electrostatic hydrogen-bonded tellurate dimers captured and stabilized by crystallization of a bis-iminoguanidinium salt

Jeffrey D. Einkauf, Vyacheslav S. Bryantsev, Radu Custelcean

Chemical Separations Group

Research output: Contribution to journal › Article › peer-review

Abstract

Anionic Te₂O₆(OH)₄^4– dimers have been captured by crystallization of a hydrated salt of glyoxal-bis-iminoguanidinium (GBIG), and structurally characterized by single-crystal X-ray diffraction and vibrational spectroscopy. The crystal structure reveals anti-electrostatic hydrogen-bonded chains of Te₂O₆(OH)₄^4– dimers, consisting of edge-sharing TeO₆ octahedra, stabilized by hydrogen bonding from the GBIG cations and the water molecules included in the crystal. FTIR spectroscopy confirms the presence of TeO₆ octahedra with characteristic Te–O stretching modes at 755 cm⁻¹ and 689 cm⁻¹, while the observed stretching mode at 3459 cm⁻¹ confirms the presence of axially-bonded hydroxyl groups. Raman spectroscopy and DFT calculations confirm the presence of the Te₂O₆(OH)₄^4– dimers in the crystalline phase and of the TeO(OH)₅^– monomers in solution.

Original language	English
Article number	115990
Journal	Polyhedron
Volume	223
DOIs	https://doi.org/10.1016/j.poly.2022.115990
State	Published - Sep 1 2022

Funding

This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division. The manuscript was produced by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The publisher acknowledges the U.S. Government license to provide public access under the DOE Public Access Plan (http://energy.gov/downloads/doe-public-access-plan). This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division. The manuscript was produced by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The publisher acknowledges the U.S. Government license to provide public access under the DOE Public Access Plan (http://energy.gov/downloads/doe-public-access-plan).

Funders	Funder number
DOE Public Access Plan
U.S. Department of Energy
Office of Science
Basic Energy Sciences
Chemical Sciences, Geosciences, and Biosciences Division	DE-AC05-00OR22725

Keywords

Crystallization
Guanidine
Oxyanions
Tellurate
Tellurium

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title = "Anti-electrostatic hydrogen-bonded tellurate dimers captured and stabilized by crystallization of a bis-iminoguanidinium salt",

abstract = "Anionic Te2O6(OH)44– dimers have been captured by crystallization of a hydrated salt of glyoxal-bis-iminoguanidinium (GBIG), and structurally characterized by single-crystal X-ray diffraction and vibrational spectroscopy. The crystal structure reveals anti-electrostatic hydrogen-bonded chains of Te2O6(OH)44– dimers, consisting of edge-sharing TeO6 octahedra, stabilized by hydrogen bonding from the GBIG cations and the water molecules included in the crystal. FTIR spectroscopy confirms the presence of TeO6 octahedra with characteristic Te–O stretching modes at 755 cm−1 and 689 cm−1, while the observed stretching mode at 3459 cm−1 confirms the presence of axially-bonded hydroxyl groups. Raman spectroscopy and DFT calculations confirm the presence of the Te2O6(OH)44– dimers in the crystalline phase and of the TeO(OH)5– monomers in solution.",

keywords = "Crystallization, Guanidine, Oxyanions, Tellurate, Tellurium",

author = "Einkauf, {Jeffrey D.} and Bryantsev, {Vyacheslav S.} and Radu Custelcean",

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year = "2022",

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doi = "10.1016/j.poly.2022.115990",

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T1 - Anti-electrostatic hydrogen-bonded tellurate dimers captured and stabilized by crystallization of a bis-iminoguanidinium salt

AU - Einkauf, Jeffrey D.

AU - Bryantsev, Vyacheslav S.

AU - Custelcean, Radu

PY - 2022/9/1

Y1 - 2022/9/1

N2 - Anionic Te2O6(OH)44– dimers have been captured by crystallization of a hydrated salt of glyoxal-bis-iminoguanidinium (GBIG), and structurally characterized by single-crystal X-ray diffraction and vibrational spectroscopy. The crystal structure reveals anti-electrostatic hydrogen-bonded chains of Te2O6(OH)44– dimers, consisting of edge-sharing TeO6 octahedra, stabilized by hydrogen bonding from the GBIG cations and the water molecules included in the crystal. FTIR spectroscopy confirms the presence of TeO6 octahedra with characteristic Te–O stretching modes at 755 cm−1 and 689 cm−1, while the observed stretching mode at 3459 cm−1 confirms the presence of axially-bonded hydroxyl groups. Raman spectroscopy and DFT calculations confirm the presence of the Te2O6(OH)44– dimers in the crystalline phase and of the TeO(OH)5– monomers in solution.

AB - Anionic Te2O6(OH)44– dimers have been captured by crystallization of a hydrated salt of glyoxal-bis-iminoguanidinium (GBIG), and structurally characterized by single-crystal X-ray diffraction and vibrational spectroscopy. The crystal structure reveals anti-electrostatic hydrogen-bonded chains of Te2O6(OH)44– dimers, consisting of edge-sharing TeO6 octahedra, stabilized by hydrogen bonding from the GBIG cations and the water molecules included in the crystal. FTIR spectroscopy confirms the presence of TeO6 octahedra with characteristic Te–O stretching modes at 755 cm−1 and 689 cm−1, while the observed stretching mode at 3459 cm−1 confirms the presence of axially-bonded hydroxyl groups. Raman spectroscopy and DFT calculations confirm the presence of the Te2O6(OH)44– dimers in the crystalline phase and of the TeO(OH)5– monomers in solution.

KW - Crystallization

KW - Guanidine

KW - Oxyanions

KW - Tellurate

KW - Tellurium

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ER -

Anti-electrostatic hydrogen-bonded tellurate dimers captured and stabilized by crystallization of a bis-iminoguanidinium salt

Abstract

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Keywords

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