Abstract The partially [d6, 2] and fully [d20, 3] deuterated analogues of (QuinH)2CuBr4·2H2O (d0, 1) were prepared and their crystal structures were determined [Quin = quinoline]. In both compounds, there is a clear disorder in the positions of the bromide ions which was resolved. This led to a reexamination of the structure of the parent, fully protonated compound (1) where a small percentage of previously unrecognized disorder was also observed and the structure rerefined. Variable temperature magnetization measurements over the range 1.8–310 K indicate that all three materials behave as magnetically well-isolated layers that can be evaluated using the 2D-quantum Heisenberg antiferromagnetic model. Final fitting results for the partially (J = −5.96(5) K) and fully (J = −5.77(2) K) deuterated compounds indicate slightly weaker exchange compared to the protonated compound (J = −6.17(3) K), likely as a result of the increased disorder in the deuterated phases. Graphical Abstract

中文翻译：

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氘化对双喹啉四溴铜酸盐(II)二水合物结构和磁性能的影响

摘要 制备了(QuinH)2CuBr4·2H2O (d0, 1)的部分[d6, 2]和完全[d20, 3]氘代类似物，并确定了它们的晶体结构[Quin = quinoline]。在这两种化合物中，溴离子的位置都存在明显的无序，并被解析。这导致了对母体完全质子化化合物 (1) 的结构的重新检查，其中还观察到了一小部分以前无法识别的紊乱，并重新改进了结构。在 1.8-310 K 范围内的可变温度磁化测量表明，所有三种材料都表现为良好的磁隔离层，可以使用 2D 量子海森堡反铁磁模型进行评估。部分 (J = -5.96(5) K) 和完全 (J = -5) 的最终拟合结果。与质子化化合物 (J = -6.17(3) K) 相比，77(2) K) 氘化化合物表明交换略弱，这可能是氘化相中无序增加的结果。图形概要