TY - JOUR
T1 - Molecular and crystal structures of plutonyl(VI) nitrate complexes with N-alkylated 2-pyrrolidone derivatives
T2 - Cocrystallization potentiality of U VI and PuVI
AU - Kim, Seong Yun
AU - Takao, Koichiro
AU - Haga, Yoshinori
AU - Yamamoto, Etsuji
AU - Kawata, Yoshihisa
AU - Morita, Yasuji
AU - Nishimura, Kenji
AU - Ikeda, Yasuhisa
PY - 2010/5/5
Y1 - 2010/5/5
N2 - Plutonyl(VI) nitrate complexes with N-cyclohexyl-2-pyrrolidone (NCP) and N-neopentyl-2-pyrrolidone (NNpP) were prepared, and their molecular and crystal structures were determined by single crystal X-ray analysis. The obtained compounds have a similar composition, PuO2(NO3) 2(NRP)2 (NRP = NCP, NNpP), which are analogous to the corresponding UVI complexes. Both PuO2(NO 3)2(NRP)2 complexes show typical structural properties of actinyl(VI) nitrates, that is, hexagonal-bipyramidal geometry consisting of two NRP molecules and two NO3- ions located in trans positions in the equatorial plane of the PuO22+ moiety, Pu=Oax = 1.73 Å, Pu-ONRP = 2.38 Å, Pu-ONO3 = 2.50 Å, and a bond angle between the Pu-O NRP bond and the carbonyl group of NRP ≈ 135°. PuO 2(NO3)2(NNpP)2 is isostructural with the corresponding uranium compound, whereas PuO2(NO 3)2(NCP)2 is not. These findings provide one of criteria in selection of suitable NRP as a precipitation agent for the spent nuclear fuel reprocessing based on the precipitation method from a viewpoint of crystal engineering.
AB - Plutonyl(VI) nitrate complexes with N-cyclohexyl-2-pyrrolidone (NCP) and N-neopentyl-2-pyrrolidone (NNpP) were prepared, and their molecular and crystal structures were determined by single crystal X-ray analysis. The obtained compounds have a similar composition, PuO2(NO3) 2(NRP)2 (NRP = NCP, NNpP), which are analogous to the corresponding UVI complexes. Both PuO2(NO 3)2(NRP)2 complexes show typical structural properties of actinyl(VI) nitrates, that is, hexagonal-bipyramidal geometry consisting of two NRP molecules and two NO3- ions located in trans positions in the equatorial plane of the PuO22+ moiety, Pu=Oax = 1.73 Å, Pu-ONRP = 2.38 Å, Pu-ONO3 = 2.50 Å, and a bond angle between the Pu-O NRP bond and the carbonyl group of NRP ≈ 135°. PuO 2(NO3)2(NNpP)2 is isostructural with the corresponding uranium compound, whereas PuO2(NO 3)2(NCP)2 is not. These findings provide one of criteria in selection of suitable NRP as a precipitation agent for the spent nuclear fuel reprocessing based on the precipitation method from a viewpoint of crystal engineering.
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U2 - 10.1021/cg100015t
DO - 10.1021/cg100015t
M3 - Article
AN - SCOPUS:77952042630
SN - 1528-7483
VL - 10
SP - 2033
EP - 2036
JO - Crystal Growth and Design
JF - Crystal Growth and Design
IS - 5
ER -