Abstract
Various lanthanide open framework materials incorporating the terephthalate (TP) entity were prepared using hydrothermal synthesis methods at a moderate temperature of 170 °C. The compounds Nd2(TP)3(H 2O)4(1), Er2(TP)3(H 2O)4(2), Yb2(TP)3(H 2O)2(3), Yb2(TP)3(H 2O)6(4), and Yb2(TP)3(H 2O)8·2H2O (5), were characterized by single crystal structural analysis and FT-IR spectroscopy. While compounds 1 and 2 have been reported before on the basis of powder X-ray diffraction, the structural characterization of any ytterbium terephthalate species is unprecedented. Compounds 1-5 crystallize in triclinic settings with space group P-1. The compounds are compared with their previously reported Er and Tb-counterparts and the reduction of the dimensionality of the resulting networks from 3D over 2D to 1D with increasing level of hydration is discussed. Compounds 1, 2, and 3 with the lowest water content assemble in three-dimensional network lattices. Compounds 4 and 5, however, form 2D layered systems and 1D rod like chains, respectively, which are held together by hydrogen bonds originating from coordinating H2O. The crystal lattices of the 3D networks experience higher levels of tension as can be seen by increasing out-of-plane torsion with regard to the terephthalate carboxylate groups. Moreover, there seems to be a correlation between the level of strain on the aromatic ligands and the reduction of the number of carboxylate oxygen atoms that are part of the coordination polyhedra.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 109-119 |
| Number of pages | 11 |
| Journal | Journal of Molecular Structure |
| Volume | 985 |
| Issue number | 1 |
| DOIs | |
| State | Published - Jan 15 2011 |
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Keywords
- Crystal structures
- Ionic radius
- Lanthanide coordination polymers
- Network dimensionality
- Out-of-plane torsion
- Terephthalic acid
ASJC Scopus subject areas
- Analytical Chemistry
- Spectroscopy
- Organic Chemistry
- Inorganic Chemistry
Cite this
Network dimensionality and ligand flexibility in lanthanide terephthalate hydrates. / Zehnder, Ralph A.; Renn, Robert A.; Pippin, Ethan; Zeller, Matthias; Wheeler, Kraig A.; Carr, Jason A.; Fontaine, Nick; McMullen, Nathan C.
In: Journal of Molecular Structure, Vol. 985, No. 1, 15.01.2011, p. 109-119.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Network dimensionality and ligand flexibility in lanthanide terephthalate hydrates
AU - Zehnder, Ralph A.
AU - Renn, Robert A.
AU - Pippin, Ethan
AU - Zeller, Matthias
AU - Wheeler, Kraig A.
AU - Carr, Jason A.
AU - Fontaine, Nick
AU - McMullen, Nathan C.
PY - 2011/1/15
Y1 - 2011/1/15
N2 - Various lanthanide open framework materials incorporating the terephthalate (TP) entity were prepared using hydrothermal synthesis methods at a moderate temperature of 170 °C. The compounds Nd2(TP)3(H 2O)4(1), Er2(TP)3(H 2O)4(2), Yb2(TP)3(H 2O)2(3), Yb2(TP)3(H 2O)6(4), and Yb2(TP)3(H 2O)8·2H2O (5), were characterized by single crystal structural analysis and FT-IR spectroscopy. While compounds 1 and 2 have been reported before on the basis of powder X-ray diffraction, the structural characterization of any ytterbium terephthalate species is unprecedented. Compounds 1-5 crystallize in triclinic settings with space group P-1. The compounds are compared with their previously reported Er and Tb-counterparts and the reduction of the dimensionality of the resulting networks from 3D over 2D to 1D with increasing level of hydration is discussed. Compounds 1, 2, and 3 with the lowest water content assemble in three-dimensional network lattices. Compounds 4 and 5, however, form 2D layered systems and 1D rod like chains, respectively, which are held together by hydrogen bonds originating from coordinating H2O. The crystal lattices of the 3D networks experience higher levels of tension as can be seen by increasing out-of-plane torsion with regard to the terephthalate carboxylate groups. Moreover, there seems to be a correlation between the level of strain on the aromatic ligands and the reduction of the number of carboxylate oxygen atoms that are part of the coordination polyhedra.
AB - Various lanthanide open framework materials incorporating the terephthalate (TP) entity were prepared using hydrothermal synthesis methods at a moderate temperature of 170 °C. The compounds Nd2(TP)3(H 2O)4(1), Er2(TP)3(H 2O)4(2), Yb2(TP)3(H 2O)2(3), Yb2(TP)3(H 2O)6(4), and Yb2(TP)3(H 2O)8·2H2O (5), were characterized by single crystal structural analysis and FT-IR spectroscopy. While compounds 1 and 2 have been reported before on the basis of powder X-ray diffraction, the structural characterization of any ytterbium terephthalate species is unprecedented. Compounds 1-5 crystallize in triclinic settings with space group P-1. The compounds are compared with their previously reported Er and Tb-counterparts and the reduction of the dimensionality of the resulting networks from 3D over 2D to 1D with increasing level of hydration is discussed. Compounds 1, 2, and 3 with the lowest water content assemble in three-dimensional network lattices. Compounds 4 and 5, however, form 2D layered systems and 1D rod like chains, respectively, which are held together by hydrogen bonds originating from coordinating H2O. The crystal lattices of the 3D networks experience higher levels of tension as can be seen by increasing out-of-plane torsion with regard to the terephthalate carboxylate groups. Moreover, there seems to be a correlation between the level of strain on the aromatic ligands and the reduction of the number of carboxylate oxygen atoms that are part of the coordination polyhedra.
KW - Crystal structures
KW - Ionic radius
KW - Lanthanide coordination polymers
KW - Network dimensionality
KW - Out-of-plane torsion
KW - Terephthalic acid
UR - http://www.scopus.com/inward/record.url?scp=78649944909&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=78649944909&partnerID=8YFLogxK
U2 - 10.1016/j.molstruc.2010.10.030
DO - 10.1016/j.molstruc.2010.10.030
M3 - Article
AN - SCOPUS:78649944909
VL - 985
SP - 109
EP - 119
JO - Journal of Molecular Structure
JF - Journal of Molecular Structure
SN - 0022-2860
IS - 1
ER -