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Title: New Family of Cerium Halide Based Materials: CeX 3 ·ROH Compounds Containing Planes, Chains, and Tetradecanuclear Rings

Abstract

Six members of a new family of cerium-halide-based materials with promising scintillation behavior have been synthesized in single crystal form, and their crystal structures were determined. S p e c i fi c a l l y , t h e s e n e w c o m p o u n d s a r e [(CeCl3)7(BuOH)16(H2O)2] (BuOH)2 (1), (CeBr3)14(BuOH)36 (2), [(CeCl3)7(1-PrOH)16(H2O)2] (1-PrOH)2 (3), [(CeBr3)7(1- PrOH)18] (1-PrOH)2 (4), [(CeCl3)6(iBuOH)15] (iBuOH)2 (5), and CeCl3(sec-BuOH)2(H2O) (6). Additionally, the scintillation ability of compound 1 was established. The structures of these cerium-halide-based materials consist of catenated tetradecanuclear rings that arrange themselves into three distinct structural motifs which contain the largest lanthanide-based ring structures reported to date; the different motifs are obtained by involving specific alcohols during synthesis. Specifically, n-butanol and n-propanol lead to 1-D chains of tetradecanuclear rings, and iso-butanol leads to 2-D parquet-patterned sheets of rectangular tetradecanuclear rings, while sec-butanol results in a zigzag 1-D chain structure. One of the compounds, [(CeCl3)6(iBuOH)15] (iBuOH)2, has been shown to scintillate with a light yield of up to 1920 photons/MeV, and due to the presence of protons, it should be capable of detecting high energy neutrons without the necessity of prior thermalization. Furthermore, itmore » also appears to be the first cerium-based compound that scintillates in spite of the fact that water coordinates to two of the Ce(III) centers within the structure.« less

Authors:
; ; ; ; ; ;
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1052285
DOE Contract Number:  
DE-AC05-00OR22725
Resource Type:
Journal Article
Journal Name:
Inorganic Chemistry
Additional Journal Information:
Journal Volume: 51; Journal Issue: 20; Journal ID: ISSN 0020-1669
Publisher:
American Chemical Society (ACS)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Vaughn, Shae Anne, Chakoumakos, Bryan C., Custelcean, Radu, Ramey, Joanne O., Smith, Mark D., Boatner, Lynn A., and zur Loye, Hans-Conrad. New Family of Cerium Halide Based Materials: CeX 3 ·ROH Compounds Containing Planes, Chains, and Tetradecanuclear Rings. United States: N. p., 2012. Web. doi:10.1021/ic3003349.
Vaughn, Shae Anne, Chakoumakos, Bryan C., Custelcean, Radu, Ramey, Joanne O., Smith, Mark D., Boatner, Lynn A., & zur Loye, Hans-Conrad. New Family of Cerium Halide Based Materials: CeX 3 ·ROH Compounds Containing Planes, Chains, and Tetradecanuclear Rings. United States. https://doi.org/10.1021/ic3003349
Vaughn, Shae Anne, Chakoumakos, Bryan C., Custelcean, Radu, Ramey, Joanne O., Smith, Mark D., Boatner, Lynn A., and zur Loye, Hans-Conrad. 2012. "New Family of Cerium Halide Based Materials: CeX 3 ·ROH Compounds Containing Planes, Chains, and Tetradecanuclear Rings". United States. https://doi.org/10.1021/ic3003349.
@article{osti_1052285,
title = {New Family of Cerium Halide Based Materials: CeX 3 ·ROH Compounds Containing Planes, Chains, and Tetradecanuclear Rings},
author = {Vaughn, Shae Anne and Chakoumakos, Bryan C. and Custelcean, Radu and Ramey, Joanne O. and Smith, Mark D. and Boatner, Lynn A. and zur Loye, Hans-Conrad},
abstractNote = {Six members of a new family of cerium-halide-based materials with promising scintillation behavior have been synthesized in single crystal form, and their crystal structures were determined. S p e c i fi c a l l y , t h e s e n e w c o m p o u n d s a r e [(CeCl3)7(BuOH)16(H2O)2] (BuOH)2 (1), (CeBr3)14(BuOH)36 (2), [(CeCl3)7(1-PrOH)16(H2O)2] (1-PrOH)2 (3), [(CeBr3)7(1- PrOH)18] (1-PrOH)2 (4), [(CeCl3)6(iBuOH)15] (iBuOH)2 (5), and CeCl3(sec-BuOH)2(H2O) (6). Additionally, the scintillation ability of compound 1 was established. The structures of these cerium-halide-based materials consist of catenated tetradecanuclear rings that arrange themselves into three distinct structural motifs which contain the largest lanthanide-based ring structures reported to date; the different motifs are obtained by involving specific alcohols during synthesis. Specifically, n-butanol and n-propanol lead to 1-D chains of tetradecanuclear rings, and iso-butanol leads to 2-D parquet-patterned sheets of rectangular tetradecanuclear rings, while sec-butanol results in a zigzag 1-D chain structure. One of the compounds, [(CeCl3)6(iBuOH)15] (iBuOH)2, has been shown to scintillate with a light yield of up to 1920 photons/MeV, and due to the presence of protons, it should be capable of detecting high energy neutrons without the necessity of prior thermalization. Furthermore, it also appears to be the first cerium-based compound that scintillates in spite of the fact that water coordinates to two of the Ce(III) centers within the structure.},
doi = {10.1021/ic3003349},
url = {https://www.osti.gov/biblio/1052285}, journal = {Inorganic Chemistry},
issn = {0020-1669},
number = 20,
volume = 51,
place = {United States},
year = {Mon Oct 15 00:00:00 EDT 2012},
month = {Mon Oct 15 00:00:00 EDT 2012}
}