Crystal growth and characterisation of a unique trinuclear VIV/VV complex

Yothin Chimupala; Wasinee Phonsri; Timothy J. Prior; Apinpus Rujiwatra

Crystal growth and characterisation of a unique trinuclear VIV/VV complex

Yothin Chimupala, Wasinee Phonsri, Timothy J. Prior, Apinpus Rujiwatra

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

Abstract

Single crystals of a mixed-valence trinuclear cluster of formula [V₂ ^VV^IVO₅(C₁₂H₈N₂)₃(SO₄)₂(H₂O)₃].6H₂O were grown by layer diffusion technique and characterised by single-crystal X-ray diffraction; P2₁/c, a = 20.5448(11) Å, b = 11.7647(9) Å, c = 18.1871(9) Å, β = 92.64(0)°, V = 4391.22 (93) Å³, R = 0.0941 and Rw = 0.1345. A distinct characteristic of the structure is the existence of the rare linear mono-μ-oxo [V₂ ^VV^IVO₅]⁴⁺ building units and the presence of a large number of hydrogen bonds and π-π interactions. The study on the mixed valence state of vanadium by valence bond sum calculations, manganometric titration and cyclic voltammetry, and the presence of π-π interactions by calculation of the harmonic oscillator model of aromaticity indices are presented. The thermogravimetric and differential scanning calorimetric analysis is also reported. The results of UV-Vis spectroscopic study and band gap energy calculation are included.

Original language	English
Pages (from-to)	83-95
Number of pages	13
Journal	Maejo International Journal of Science and Technology
Volume	5
Issue number	1
Publication status	Published - Jan 2011
Externally published	Yes

Keywords

Crystal structure
Single-crystal X-ray diffraction
Trinuclear complex
Vanadium complex

Cite this

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title = "Crystal growth and characterisation of a unique trinuclear VIV/VV complex",

abstract = "Single crystals of a mixed-valence trinuclear cluster of formula [V2 VVIVO5(C12H8N2)3(SO4)2(H2O)3].6H2O were grown by layer diffusion technique and characterised by single-crystal X-ray diffraction; P21/c, a = 20.5448(11) {\AA}, b = 11.7647(9) {\AA}, c = 18.1871(9) {\AA}, β = 92.64(0)°, V = 4391.22 (93) {\AA}3, R = 0.0941 and Rw = 0.1345. A distinct characteristic of the structure is the existence of the rare linear mono-μ-oxo [V2 VVIVO5]4+ building units and the presence of a large number of hydrogen bonds and π-π interactions. The study on the mixed valence state of vanadium by valence bond sum calculations, manganometric titration and cyclic voltammetry, and the presence of π-π interactions by calculation of the harmonic oscillator model of aromaticity indices are presented. The thermogravimetric and differential scanning calorimetric analysis is also reported. The results of UV-Vis spectroscopic study and band gap energy calculation are included.",

keywords = "Crystal structure, Single-crystal X-ray diffraction, Trinuclear complex, Vanadium complex",

author = "Yothin Chimupala and Wasinee Phonsri and Prior, {Timothy J.} and Apinpus Rujiwatra",

year = "2011",

month = jan,

language = "English",

volume = "5",

pages = "83--95",

journal = "Maejo International Journal of Science and Technology",

issn = "1905-7873",

number = "1",

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TY - JOUR

T1 - Crystal growth and characterisation of a unique trinuclear VIV/VV complex

AU - Chimupala, Yothin

AU - Phonsri, Wasinee

AU - Prior, Timothy J.

AU - Rujiwatra, Apinpus

PY - 2011/1

Y1 - 2011/1

N2 - Single crystals of a mixed-valence trinuclear cluster of formula [V2 VVIVO5(C12H8N2)3(SO4)2(H2O)3].6H2O were grown by layer diffusion technique and characterised by single-crystal X-ray diffraction; P21/c, a = 20.5448(11) Å, b = 11.7647(9) Å, c = 18.1871(9) Å, β = 92.64(0)°, V = 4391.22 (93) Å3, R = 0.0941 and Rw = 0.1345. A distinct characteristic of the structure is the existence of the rare linear mono-μ-oxo [V2 VVIVO5]4+ building units and the presence of a large number of hydrogen bonds and π-π interactions. The study on the mixed valence state of vanadium by valence bond sum calculations, manganometric titration and cyclic voltammetry, and the presence of π-π interactions by calculation of the harmonic oscillator model of aromaticity indices are presented. The thermogravimetric and differential scanning calorimetric analysis is also reported. The results of UV-Vis spectroscopic study and band gap energy calculation are included.

AB - Single crystals of a mixed-valence trinuclear cluster of formula [V2 VVIVO5(C12H8N2)3(SO4)2(H2O)3].6H2O were grown by layer diffusion technique and characterised by single-crystal X-ray diffraction; P21/c, a = 20.5448(11) Å, b = 11.7647(9) Å, c = 18.1871(9) Å, β = 92.64(0)°, V = 4391.22 (93) Å3, R = 0.0941 and Rw = 0.1345. A distinct characteristic of the structure is the existence of the rare linear mono-μ-oxo [V2 VVIVO5]4+ building units and the presence of a large number of hydrogen bonds and π-π interactions. The study on the mixed valence state of vanadium by valence bond sum calculations, manganometric titration and cyclic voltammetry, and the presence of π-π interactions by calculation of the harmonic oscillator model of aromaticity indices are presented. The thermogravimetric and differential scanning calorimetric analysis is also reported. The results of UV-Vis spectroscopic study and band gap energy calculation are included.

KW - Crystal structure

KW - Single-crystal X-ray diffraction

KW - Trinuclear complex

KW - Vanadium complex

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M3 - Article

AN - SCOPUS:79953035486

SN - 1905-7873

VL - 5

SP - 83

EP - 95

JO - Maejo International Journal of Science and Technology

JF - Maejo International Journal of Science and Technology

IS - 1

ER -

Crystal growth and characterisation of a unique trinuclear VIV/VV complex

Abstract

Keywords

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