Bond-length distributions for ions bonded to oxygen: results for the lanthanides and actinides and discussion of the f-block contraction

O. Gagné
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引用次数: 27

Abstract

Bond-length distributions have been examined for 84 configurations of the lanthanide ions and 22 configurations of the actinide ions bonded to oxygen, for 1317 coordination polyhedra and 10 700 bond distances for the lanthanide ions, and 671 coordination polyhedra and 4754 bond distances for the actinide ions. A linear correlation between mean bond length and coordination number is observed for the trivalent lanthanides ions bonded to O2−. The lanthanide contraction for the trivalent lanthanide ions bonded to O2− is shown to vary as a function of coordination number, and to diminish in scale with an increasing coordination number. The decrease in mean bond length from La3+ to Lu3+ is 0.25 A for coordination number (CN) 6 (9.8%), 0.22 A for CN 7 (8.7%), 0.21 A for CN 8 (8.0%), 0.21 A for CN 9 (8.2%) and 0.18 A for CN 10 (6.9%). The crystal chemistry of Np5+ and Np6+ is shown to be very similar to that of U6+ when bonded to O2−, but differs for Np7+.
与氧成键的离子的键长分布:镧系和锕系的结果和f块收缩的讨论
研究了镧系离子的84种构型和锕系离子的22种构型,镧系离子的1317个配位多面体和10700个键距,锕系离子的671个配位多面体和4754个键距的键长分布。对与O2−成键的三价镧系离子,发现其平均键长与配位数呈线性相关。与O2−键合的三价镧系离子的镧系收缩随配位数的变化而变化,并随配位数的增加而缩小。配位数(CN) 6、CN 7、CN 8、CN 9和CN 10的平均键长分别减少0.25 A(9.8%)、0.22 A(8.7%)、0.21 A(8.0%)、0.21 A(8.2%)和0.18 A(6.9%)。Np5+和Np6+与O2−结合时的晶体化学性质与U6+非常相似,而Np7+则不同。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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