Three novel isomeric zinc metal-organic frameworks from a tetracarboxylate linker

Yun Xia Hu; Hai Bo Ma; Bo Zheng; Wen Wei Zhang; Shengchang Xiang; Lu Zhai; Li Feng Wang; Banglin Chen; Xiao Ming Ren; Junfeng Bai

doi:10.1021/ic202085j

Three novel isomeric zinc metal-organic frameworks from a tetracarboxylate linker

Yun Xia Hu, Hai Bo Ma, Bo Zheng, Wen Wei Zhang, Shengchang Xiang, Lu Zhai, Li Feng Wang, Banglin Chen, Xiao Ming Ren, Junfeng Bai

School of Chemistry and Moleculai Engineering

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

39 Scopus citations

Abstract

Three porous supramolecular isomers (IZE-1, IZE-2, and IZE-3) with the same framework component [Zn₂(EBTC)(H₂O)₂] (EBTC = 1,1′-ethynebenzene-3,3′,5,5′-tetracarboxylate) were successfully constructed by finely tuning the reaction condition. Although both IZE-1 and IZE-2 are constructed from the linear EBTC subunits and one kind of regular [Zn₂(CO₂)₄] paddlewheels, their frameworks exhibit two different (3,4)-c net of fof (sqc1575) and sqc1572, respectively, resulting in cavities with different size and shape. However, as for isomer IZE-3, the EBTC ligands are bent and one-half of the [Zn ₂(CO₂)₄] paddlewheels are distorted, leading to a novel (3,4,4)-c hyx net with point symbol (6.7²) ₄(6².8².10²)(7².8 ².11²) and vertex symbol (6.7.7)₄(7 ₂.7₂.8.8.12.12)(6.6.8.8.10₂.10₂). Quantum chemical calculations by DFT indicate that the three isomers have very close thermodynamic stabilities, which may explain that subtle condition change leads to variation of the frameworks. Further theoretical semiempirical investigation on the interactions between solvent molecules and compounds shows different hydrogen binding patterns in good agreement with the experimental observations. Furthermore, they exhibit good solid-state luminescence properties with long lifetime.

Original language	English
Pages (from-to)	7066-7074
Number of pages	9
Journal	Inorganic Chemistry
Volume	51
Issue number	13
DOIs	https://doi.org/10.1021/ic202085j
State	Published - 2 Jul 2012

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@article{7113717de3bc4d739665df608834ae9e,

title = "Three novel isomeric zinc metal-organic frameworks from a tetracarboxylate linker",

abstract = "Three porous supramolecular isomers (IZE-1, IZE-2, and IZE-3) with the same framework component [Zn2(EBTC)(H2O)2] (EBTC = 1,1′-ethynebenzene-3,3′,5,5′-tetracarboxylate) were successfully constructed by finely tuning the reaction condition. Although both IZE-1 and IZE-2 are constructed from the linear EBTC subunits and one kind of regular [Zn2(CO2)4] paddlewheels, their frameworks exhibit two different (3,4)-c net of fof (sqc1575) and sqc1572, respectively, resulting in cavities with different size and shape. However, as for isomer IZE-3, the EBTC ligands are bent and one-half of the [Zn 2(CO2)4] paddlewheels are distorted, leading to a novel (3,4,4)-c hyx net with point symbol (6.72) 4(62.82.102)(72.8 2.112) and vertex symbol (6.7.7)4(7 2.72.8.8.12.12)(6.6.8.8.102.102). Quantum chemical calculations by DFT indicate that the three isomers have very close thermodynamic stabilities, which may explain that subtle condition change leads to variation of the frameworks. Further theoretical semiempirical investigation on the interactions between solvent molecules and compounds shows different hydrogen binding patterns in good agreement with the experimental observations. Furthermore, they exhibit good solid-state luminescence properties with long lifetime.",

author = "Hu, {Yun Xia} and Ma, {Hai Bo} and Bo Zheng and Zhang, {Wen Wei} and Shengchang Xiang and Lu Zhai and Wang, {Li Feng} and Banglin Chen and Ren, {Xiao Ming} and Junfeng Bai",

year = "2012",

month = jul,

day = "2",

doi = "10.1021/ic202085j",

language = "英语",

volume = "51",

pages = "7066--7074",

journal = "Inorganic Chemistry",

issn = "0020-1669",

publisher = "American Chemical Society",

number = "13",

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T1 - Three novel isomeric zinc metal-organic frameworks from a tetracarboxylate linker

AU - Hu, Yun Xia

AU - Ma, Hai Bo

AU - Zheng, Bo

AU - Zhang, Wen Wei

AU - Xiang, Shengchang

AU - Zhai, Lu

AU - Wang, Li Feng

AU - Chen, Banglin

AU - Ren, Xiao Ming

AU - Bai, Junfeng

PY - 2012/7/2

Y1 - 2012/7/2

N2 - Three porous supramolecular isomers (IZE-1, IZE-2, and IZE-3) with the same framework component [Zn2(EBTC)(H2O)2] (EBTC = 1,1′-ethynebenzene-3,3′,5,5′-tetracarboxylate) were successfully constructed by finely tuning the reaction condition. Although both IZE-1 and IZE-2 are constructed from the linear EBTC subunits and one kind of regular [Zn2(CO2)4] paddlewheels, their frameworks exhibit two different (3,4)-c net of fof (sqc1575) and sqc1572, respectively, resulting in cavities with different size and shape. However, as for isomer IZE-3, the EBTC ligands are bent and one-half of the [Zn 2(CO2)4] paddlewheels are distorted, leading to a novel (3,4,4)-c hyx net with point symbol (6.72) 4(62.82.102)(72.8 2.112) and vertex symbol (6.7.7)4(7 2.72.8.8.12.12)(6.6.8.8.102.102). Quantum chemical calculations by DFT indicate that the three isomers have very close thermodynamic stabilities, which may explain that subtle condition change leads to variation of the frameworks. Further theoretical semiempirical investigation on the interactions between solvent molecules and compounds shows different hydrogen binding patterns in good agreement with the experimental observations. Furthermore, they exhibit good solid-state luminescence properties with long lifetime.

AB - Three porous supramolecular isomers (IZE-1, IZE-2, and IZE-3) with the same framework component [Zn2(EBTC)(H2O)2] (EBTC = 1,1′-ethynebenzene-3,3′,5,5′-tetracarboxylate) were successfully constructed by finely tuning the reaction condition. Although both IZE-1 and IZE-2 are constructed from the linear EBTC subunits and one kind of regular [Zn2(CO2)4] paddlewheels, their frameworks exhibit two different (3,4)-c net of fof (sqc1575) and sqc1572, respectively, resulting in cavities with different size and shape. However, as for isomer IZE-3, the EBTC ligands are bent and one-half of the [Zn 2(CO2)4] paddlewheels are distorted, leading to a novel (3,4,4)-c hyx net with point symbol (6.72) 4(62.82.102)(72.8 2.112) and vertex symbol (6.7.7)4(7 2.72.8.8.12.12)(6.6.8.8.102.102). Quantum chemical calculations by DFT indicate that the three isomers have very close thermodynamic stabilities, which may explain that subtle condition change leads to variation of the frameworks. Further theoretical semiempirical investigation on the interactions between solvent molecules and compounds shows different hydrogen binding patterns in good agreement with the experimental observations. Furthermore, they exhibit good solid-state luminescence properties with long lifetime.

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U2 - 10.1021/ic202085j

DO - 10.1021/ic202085j

M3 - 文章

C2 - 22708831

AN - SCOPUS:84863305509

SN - 0020-1669

VL - 51

SP - 7066

EP - 7074

JO - Inorganic Chemistry

JF - Inorganic Chemistry

IS - 13

ER -

Three novel isomeric zinc metal-organic frameworks from a tetracarboxylate linker

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