Synthesis and structural determination of a hexanuclear zirconium glycine compound formed in aqueous solution

Long Pan; Ryan Heddy; Jing Li; Chong Zheng; Xiao Ying Huang; Xiaozhong Tang; Latonya Kilpatrick

doi:10.1021/ic800292e

Synthesis and structural determination of a hexanuclear zirconium glycine compound formed in aqueous solution

Long Pan, Ryan Heddy, Jing Li, Chong Zheng, Xiao Ying Huang, Xiaozhong Tang, Latonya Kilpatrick

Rutgers University

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

38 Citations (Scopus)

Abstract

Single crystals of a zirconium-glycine compound have been first grown in aqueous solution via an excess acid and extra stabilizer approach. The crystal structure [Zr₆(OH^-)₈(H₂O) ₈(HGly)₄(Gly^-)₄]·(SO ₄^2-)₆·14H₂O (CP-1) has been characterized by single-crystal X-ray diffraction. The structure revealed that it is composed of hexa-zirconium octahedral clusters coordinated by eight carboxylic acid groups of glycine. The charge assignment is also consistent with the electronic structure calculations, and the computational result reveals that the Zr₆ core should have no skeleton electrons.

Original language	English
Pages (from-to)	5537-5539
Number of pages	3
Journal	Inorganic Chemistry
Volume	47
Issue number	13
DOIs	https://doi.org/10.1021/ic800292e
Publication status	Published - Jul 7 2008

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Inorganic Chemistry

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title = "Synthesis and structural determination of a hexanuclear zirconium glycine compound formed in aqueous solution",

abstract = "Single crystals of a zirconium-glycine compound have been first grown in aqueous solution via an excess acid and extra stabilizer approach. The crystal structure [Zr6(OH-)8(H2O) 8(HGly)4(Gly-)4]·(SO 42-)6·14H2O (CP-1) has been characterized by single-crystal X-ray diffraction. The structure revealed that it is composed of hexa-zirconium octahedral clusters coordinated by eight carboxylic acid groups of glycine. The charge assignment is also consistent with the electronic structure calculations, and the computational result reveals that the Zr6 core should have no skeleton electrons.",

author = "Long Pan and Ryan Heddy and Jing Li and Chong Zheng and Huang, {Xiao Ying} and Xiaozhong Tang and Latonya Kilpatrick",

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T1 - Synthesis and structural determination of a hexanuclear zirconium glycine compound formed in aqueous solution

AU - Pan, Long

AU - Heddy, Ryan

AU - Li, Jing

AU - Zheng, Chong

AU - Huang, Xiao Ying

AU - Tang, Xiaozhong

AU - Kilpatrick, Latonya

PY - 2008/7/7

Y1 - 2008/7/7

N2 - Single crystals of a zirconium-glycine compound have been first grown in aqueous solution via an excess acid and extra stabilizer approach. The crystal structure [Zr6(OH-)8(H2O) 8(HGly)4(Gly-)4]·(SO 42-)6·14H2O (CP-1) has been characterized by single-crystal X-ray diffraction. The structure revealed that it is composed of hexa-zirconium octahedral clusters coordinated by eight carboxylic acid groups of glycine. The charge assignment is also consistent with the electronic structure calculations, and the computational result reveals that the Zr6 core should have no skeleton electrons.

AB - Single crystals of a zirconium-glycine compound have been first grown in aqueous solution via an excess acid and extra stabilizer approach. The crystal structure [Zr6(OH-)8(H2O) 8(HGly)4(Gly-)4]·(SO 42-)6·14H2O (CP-1) has been characterized by single-crystal X-ray diffraction. The structure revealed that it is composed of hexa-zirconium octahedral clusters coordinated by eight carboxylic acid groups of glycine. The charge assignment is also consistent with the electronic structure calculations, and the computational result reveals that the Zr6 core should have no skeleton electrons.

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