Hydrothermal synthesis, ab-initio structure determination and NMR study of the first mixed Cu-Al fluorinated MOF

Amandine Cadiau; Sandy Auguste; Francis Taulelle; Charlotte Martineau; Karim Adil

doi:10.1039/c3ce40099a

Hydrothermal synthesis, ab-initio structure determination and NMR study of the first mixed Cu-Al fluorinated MOF

Amandine Cadiau, Sandy Auguste, Francis Taulelle, Charlotte Martineau, Karim Adil^*

^*Corresponding author for this work

Physical Sciences and Engineering

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

21 Scopus citations

Abstract

Herein, the first fluorinated heterometallic metal-organic framework (MOF) containing both Cu(ii) and Al(iii) cations is presented. CuAlF _4.5(OH)_0.5(H₂O)[HAmTAZ]₂ (HAmTAZ = 3-amino-1,2,4-triazole) was hydrothermally synthesized. The structure of this paramagnetic compound was solved using the SDPD method (structural determination by powder diffractometry) and confirmed by ¹H, ¹⁹F and ²⁷Al solid-state nuclear magnetic resonance (NMR) experiments. The structure (space group Ima2, a = 16.306(3) Å, b = 8.9356(3) Å, c = 8.2884(2) Å) can be described from the Cu-HAmTAZ layers connected by AlF₅H₂O octahedra, generating a three-dimensional network with a pcu topology. This compound illustrates that from 2D MOFs within the M(HTAZ)₂(NCS)₂ (M = Mn, Fe, Co, Ni, Cu, Zn) system, insertion of AlF₅H₂O octahedra building units between the Cu-HAmTAZ layers provides a way to generate 3D F-MOFs.

Original language	English (US)
Pages (from-to)	3430-3435
Number of pages	6
Journal	CRYSTENGCOMM
Volume	15
Issue number	17
DOIs	https://doi.org/10.1039/c3ce40099a
State	Published - May 7 2013

ASJC Scopus subject areas

General Chemistry
General Materials Science
Condensed Matter Physics

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title = "Hydrothermal synthesis, ab-initio structure determination and NMR study of the first mixed Cu-Al fluorinated MOF",

abstract = "Herein, the first fluorinated heterometallic metal-organic framework (MOF) containing both Cu(ii) and Al(iii) cations is presented. CuAlF 4.5(OH)0.5(H2O)[HAmTAZ]2 (HAmTAZ = 3-amino-1,2,4-triazole) was hydrothermally synthesized. The structure of this paramagnetic compound was solved using the SDPD method (structural determination by powder diffractometry) and confirmed by 1H, 19F and 27Al solid-state nuclear magnetic resonance (NMR) experiments. The structure (space group Ima2, a = 16.306(3) {\AA}, b = 8.9356(3) {\AA}, c = 8.2884(2) {\AA}) can be described from the Cu-HAmTAZ layers connected by AlF5H2O octahedra, generating a three-dimensional network with a pcu topology. This compound illustrates that from 2D MOFs within the M(HTAZ)2(NCS)2 (M = Mn, Fe, Co, Ni, Cu, Zn) system, insertion of AlF5H2O octahedra building units between the Cu-HAmTAZ layers provides a way to generate 3D F-MOFs.",

author = "Amandine Cadiau and Sandy Auguste and Francis Taulelle and Charlotte Martineau and Karim Adil",

year = "2013",

month = may,

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doi = "10.1039/c3ce40099a",

language = "English (US)",

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T1 - Hydrothermal synthesis, ab-initio structure determination and NMR study of the first mixed Cu-Al fluorinated MOF

AU - Cadiau, Amandine

AU - Auguste, Sandy

AU - Taulelle, Francis

AU - Martineau, Charlotte

AU - Adil, Karim

PY - 2013/5/7

Y1 - 2013/5/7

N2 - Herein, the first fluorinated heterometallic metal-organic framework (MOF) containing both Cu(ii) and Al(iii) cations is presented. CuAlF 4.5(OH)0.5(H2O)[HAmTAZ]2 (HAmTAZ = 3-amino-1,2,4-triazole) was hydrothermally synthesized. The structure of this paramagnetic compound was solved using the SDPD method (structural determination by powder diffractometry) and confirmed by 1H, 19F and 27Al solid-state nuclear magnetic resonance (NMR) experiments. The structure (space group Ima2, a = 16.306(3) Å, b = 8.9356(3) Å, c = 8.2884(2) Å) can be described from the Cu-HAmTAZ layers connected by AlF5H2O octahedra, generating a three-dimensional network with a pcu topology. This compound illustrates that from 2D MOFs within the M(HTAZ)2(NCS)2 (M = Mn, Fe, Co, Ni, Cu, Zn) system, insertion of AlF5H2O octahedra building units between the Cu-HAmTAZ layers provides a way to generate 3D F-MOFs.

AB - Herein, the first fluorinated heterometallic metal-organic framework (MOF) containing both Cu(ii) and Al(iii) cations is presented. CuAlF 4.5(OH)0.5(H2O)[HAmTAZ]2 (HAmTAZ = 3-amino-1,2,4-triazole) was hydrothermally synthesized. The structure of this paramagnetic compound was solved using the SDPD method (structural determination by powder diffractometry) and confirmed by 1H, 19F and 27Al solid-state nuclear magnetic resonance (NMR) experiments. The structure (space group Ima2, a = 16.306(3) Å, b = 8.9356(3) Å, c = 8.2884(2) Å) can be described from the Cu-HAmTAZ layers connected by AlF5H2O octahedra, generating a three-dimensional network with a pcu topology. This compound illustrates that from 2D MOFs within the M(HTAZ)2(NCS)2 (M = Mn, Fe, Co, Ni, Cu, Zn) system, insertion of AlF5H2O octahedra building units between the Cu-HAmTAZ layers provides a way to generate 3D F-MOFs.

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U2 - 10.1039/c3ce40099a

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VL - 15

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Hydrothermal synthesis, ab-initio structure determination and NMR study of the first mixed Cu-Al fluorinated MOF

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