New crystal structural families of lanthanide chloride - Alcohol/water complexes

Bryan C. Chakoumakos; Radu Custelcean; Joanne O. Ramey; Lynn A. Boatner

doi:10.1016/j.ica.2011.11.025

New crystal structural families of lanthanide chloride - Alcohol/water complexes

Bryan C. Chakoumakos, Radu Custelcean, Joanne O. Ramey, Lynn A. Boatner

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

6 Scopus citations

Abstract

The exploration of lanthanide chloride compounds as possible scintillation materials for γ-ray and neutron detection has led to the discovery of several new families of crystal structures with the general formula LnCl ₃(CH ₃OH) _x(H ₂O) _y. The specific crystal structure depends on the water/methanol content and lanthanide ion. The coordination number of the light (large) lanthanides is the typical value of 8 and reduces to 7 for the heavier (small) lanthanides. The binding energy of water versus alcohol ligands is greater, so that if water is present in the system, it is typically incorporated as a ligand in the crystal. In these crystals, the molecular adducts occur as monomers, dimers, and dichloro-bridged chains. These, in turn, form 3D frameworks through H-bonds to the Cl anions. Other distinct crystal structures are predicted, given the volume changes due to the lanthanide contraction, the water content of the crystal growth solutions, and the specific halide.

Original language	English
Pages (from-to)	23-28
Number of pages	6
Journal	Inorganica Chimica Acta
Volume	384
DOIs	https://doi.org/10.1016/j.ica.2011.11.025
State	Published - Apr 1 2012

Funding

Research carried out in the Center for Radiation Detection Materials and Systems at ORNL is supported in part by the DOE Office of Nonproliferation Research and Development, NA-22, in the National Nuclear Security Administration and in part by the Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, US Department of Energy.

Funders	Funder number
DOE Office of Nonproliferation Research and Development	NA-22
Office of Basic Energy Sciences
US Department of Energy
National Nuclear Security Administration
Oak Ridge National Laboratory
Division of Materials Sciences and Engineering

Keywords

Lanthanide halide solvates
Scintillators
Solvated lanthanide chloride complexes

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10.1016/j.ica.2011.11.025

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title = "New crystal structural families of lanthanide chloride - Alcohol/water complexes",

abstract = "The exploration of lanthanide chloride compounds as possible scintillation materials for γ-ray and neutron detection has led to the discovery of several new families of crystal structures with the general formula LnCl 3(CH 3OH) x(H 2O) y. The specific crystal structure depends on the water/methanol content and lanthanide ion. The coordination number of the light (large) lanthanides is the typical value of 8 and reduces to 7 for the heavier (small) lanthanides. The binding energy of water versus alcohol ligands is greater, so that if water is present in the system, it is typically incorporated as a ligand in the crystal. In these crystals, the molecular adducts occur as monomers, dimers, and dichloro-bridged chains. These, in turn, form 3D frameworks through H-bonds to the Cl anions. Other distinct crystal structures are predicted, given the volume changes due to the lanthanide contraction, the water content of the crystal growth solutions, and the specific halide.",

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AU - Chakoumakos, Bryan C.

AU - Custelcean, Radu

AU - Ramey, Joanne O.

AU - Boatner, Lynn A.

PY - 2012/4/1

Y1 - 2012/4/1

N2 - The exploration of lanthanide chloride compounds as possible scintillation materials for γ-ray and neutron detection has led to the discovery of several new families of crystal structures with the general formula LnCl 3(CH 3OH) x(H 2O) y. The specific crystal structure depends on the water/methanol content and lanthanide ion. The coordination number of the light (large) lanthanides is the typical value of 8 and reduces to 7 for the heavier (small) lanthanides. The binding energy of water versus alcohol ligands is greater, so that if water is present in the system, it is typically incorporated as a ligand in the crystal. In these crystals, the molecular adducts occur as monomers, dimers, and dichloro-bridged chains. These, in turn, form 3D frameworks through H-bonds to the Cl anions. Other distinct crystal structures are predicted, given the volume changes due to the lanthanide contraction, the water content of the crystal growth solutions, and the specific halide.

AB - The exploration of lanthanide chloride compounds as possible scintillation materials for γ-ray and neutron detection has led to the discovery of several new families of crystal structures with the general formula LnCl 3(CH 3OH) x(H 2O) y. The specific crystal structure depends on the water/methanol content and lanthanide ion. The coordination number of the light (large) lanthanides is the typical value of 8 and reduces to 7 for the heavier (small) lanthanides. The binding energy of water versus alcohol ligands is greater, so that if water is present in the system, it is typically incorporated as a ligand in the crystal. In these crystals, the molecular adducts occur as monomers, dimers, and dichloro-bridged chains. These, in turn, form 3D frameworks through H-bonds to the Cl anions. Other distinct crystal structures are predicted, given the volume changes due to the lanthanide contraction, the water content of the crystal growth solutions, and the specific halide.

KW - Lanthanide halide solvates

KW - Scintillators

KW - Solvated lanthanide chloride complexes

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JO - Inorganica Chimica Acta

JF - Inorganica Chimica Acta

ER -

New crystal structural families of lanthanide chloride - Alcohol/water complexes

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Keywords

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