Abstract The present work is directed towards preparation by means of alternating current electrochemical synthesis, structural, and optical property characterization of Cu(I) π-coordination compounds [Cu(papt)NO3] (1), [Cu2(papt)2Cl2] (2), [Cu2(papt)2Br2] (3), [Cu2(eapt)2Cl2] (4), and [Cu2(eapt)2Br2] (5) with disubstituted pseudothiohydantoins, (2Z)-2-(phenylimino)-3-allyl-1,3-thiazolidin-4-one (papt) and (2Z)-2-[(2-hydroxyethyl)imino]-3-allyl-1,3-thiazolidin-4-one (eapt). All coordination compounds crystallize in the centrosymmetric monoclinic P21/n space group, 2 and 3, as well as 4 and 5 are isostructural to each other. Cu(I) in all the structures have trigonal–pyramidal environment formed by N-imino and allyl C = C double bond of the chelate organic ligand and two oxygens of NO3– in 1 or two halides in 2–5. Crystal packing of 2 and 4 were analyzed using energy framework computational analysis to examine differences in crystal structures of papt- and eapt-based coordination compounds, which could be explained by the difference in weak interactions of phenyl and 2-hydroxyethyl groups. The third-order nonlinear optical features for 1 and 2 are studied at 1064 nm generated by a nanosecond pulsed Nd:YAG laser.

中文翻译：

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铜 (I) π 配位化合物与二取代假硫代乙内酰脲的烯丙基衍生物：合成、结构研究和非线性光学特征

摘要 本工作旨在通过交流电化学合成制备 Cu(I) π 配位化合物 [Cu(papt)NO3] (1), [Cu2(papt)2Cl2] ( 2)、[Cu2(papt)2Br2] (3)、[Cu2(eapt)2Cl2] (4) 和 [Cu2(eapt)2Br2] (5) 与双取代的假硫代乙内酰脲、(2Z)-2-(苯基亚氨基)- 3-allyl-1,3-thiazolidin-4-one (papt) 和 (2Z)-2-[(2-hydroxyethyl)imino]-3-allyl-1,3-thiazolidin-4-one (eapt)。所有配位化合物都在中心对称单斜 P21/n 空间群中结晶，2 和 3 以及 4 和 5 彼此同构。所有结构中的 Cu(I) 都具有由螯合有机配体的 N-亚氨基和烯丙基 C = C 双键和 1 中的两个 NO3- 氧或 2-5 中的两个卤化物形成的三角锥环境。使用能量框架计算分析来分析 2 和 4 的晶体堆积，以检查基于 pap 和 eapt 的配位化合物的晶体结构的差异，这可以通过苯基和 2-羟乙基基团的弱相互作用的差异来解释。1 和 2 的三阶非线性光学特征在 1064 nm 处由纳秒脉冲 Nd:YAG 激光器产生。