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Exploitation of a Half-Conjugate Polydentate Salamo–Salen Hybrid Ligand and Its Two Phenoxide-Bridged Heterohexanuclear 3d–s Double-Helical Cluster Complexes
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2021-12-30 , DOI: 10.1021/acs.inorgchem.1c03066 Yun-Hu Deng 1 , Yuan-Ji Yan 1 , Jian Zhang 1 , Li-Ping Na 1 , Yang Zhang 1 , Wen-Kui Dong 1
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2021-12-30 , DOI: 10.1021/acs.inorgchem.1c03066 Yun-Hu Deng 1 , Yuan-Ji Yan 1 , Jian Zhang 1 , Li-Ping Na 1 , Yang Zhang 1 , Wen-Kui Dong 1
Affiliation
A half-conjugate polydentate Salamo–Salen hybrid ligand, H5L, containing two unique N2O2 pockets was first designed so that these metal ions in the complexes appear in different coordination modes. Two heterohexanuclear 3d–s double-helical cluster complexes, [Zn4Ca2L2(μ1-OAc)2(EtOH)2]·2EtOH (1; EtOH = ethanol) and [Zn4Sr2L2(μ2-OAc)2(MeOH)2]·2CH2Cl2 (2; MeOH = methanol), are reported that are formed through the reaction of H5L with zinc(II) and calcium(II) acetate or strontium(II) acetate, respectively. IR spectral analysis of the two complexes showed the existence of monodentate- and bidentate-coordinated acetate ions. The fluorescence properties of the ligand and its two heterohexanuclear complexes were explored in MeOH and water solutions, separately. In addition, theoretical calculations (density functional theory, interaction region indicator, and bond order) were performed to further understand the formation of a single-molecular double helix and the electron distribution characteristics of the two complexes.
中文翻译:
半共轭多齿 Salamo-Salen 杂化配体及其两个酚盐桥接杂六核 3d-s 双螺旋簇配合物的开发
首先设计了一种半共轭多齿 Salamo-Salen 杂化配体H 5 L,它包含两个独特的 N 2 O 2口袋,使配合物中的这些金属离子以不同的配位模式出现。两个异六核 3d–s 双螺旋簇配合物,[Zn 4 Ca 2 L 2 (μ 1 -OAc) 2 (EtOH) 2 ]·2EtOH ( 1 ; EtOH = 乙醇) 和 [Zn 4 Sr 2 L 2 (μ 2 -OAc) 2 (MeOH) 2 ]·2CH 2 Cl 2 (2 ; 据报道,MeOH = 甲醇)分别通过H 5 L与乙酸锌 (II) 和乙酸钙 (II) 或乙酸锶 (II) 反应形成。两种配合物的 IR 光谱分析表明存在单齿和双齿配位的乙酸根离子。分别在 MeOH 和水溶液中探索了配体及其两种异六核配合物的荧光特性。此外,还进行了理论计算(密度泛函理论、相互作用区域指标和键序),以进一步了解单分子双螺旋的形成和两种配合物的电子分布特征。
更新日期:2022-01-17
中文翻译:
半共轭多齿 Salamo-Salen 杂化配体及其两个酚盐桥接杂六核 3d-s 双螺旋簇配合物的开发
首先设计了一种半共轭多齿 Salamo-Salen 杂化配体H 5 L,它包含两个独特的 N 2 O 2口袋,使配合物中的这些金属离子以不同的配位模式出现。两个异六核 3d–s 双螺旋簇配合物,[Zn 4 Ca 2 L 2 (μ 1 -OAc) 2 (EtOH) 2 ]·2EtOH ( 1 ; EtOH = 乙醇) 和 [Zn 4 Sr 2 L 2 (μ 2 -OAc) 2 (MeOH) 2 ]·2CH 2 Cl 2 (2 ; 据报道,MeOH = 甲醇)分别通过H 5 L与乙酸锌 (II) 和乙酸钙 (II) 或乙酸锶 (II) 反应形成。两种配合物的 IR 光谱分析表明存在单齿和双齿配位的乙酸根离子。分别在 MeOH 和水溶液中探索了配体及其两种异六核配合物的荧光特性。此外,还进行了理论计算(密度泛函理论、相互作用区域指标和键序),以进一步了解单分子双螺旋的形成和两种配合物的电子分布特征。