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• W4319062297 endingPage "3287" @default.
• W4319062297 startingPage "3278" @default.
• W4319062297 abstract "Research on isomers is highly desirable due to their prospective role in better understanding of physicochemical properties of similar systems and further development of multifunctional molecular materials. Iron(II) and tetra(thiocyanato)mercury(II) ions self-assembled in the presence of 2-acetylpyridine (2-acpy) excess to form two {[Fe(2-acpy)][Hg(μ-SCN)4]}n isomers: two-dimensional (2D) centrosymmetric layers with folded ring structural motifs (1) and three-dimensional (3D) chiral networks with right- or left-handed {···Fe-NCS-Hg-SCN···}∞ helixes (2). New methods of designing and synthesizing functional thiocyanate-bridged materials have been proposed. In addition, the similarity between 1 and 2 allowed for the description of subtle changes in IR and UV-visible spectra. Moreover, 2 shows spontaneous resolution, and it crystallizes in the noncentrosymmetric space group P21, leading to the occurrence of nonlinear optical activity in circular dichroism studies and second harmonic generation (SHG). At room temperature, the SH susceptibility for powder sample 2 reached 6.0 × 10-11 esu. Ab initio calculations indicated the electric polarization vector and the crystallographic twofold screw axis pass through the aromatic ring. Magnetic studies for 1 and 2 revealed high-spin iron(II) with zero-field splitting at low temperatures. Analysis of magnetic data gave |D| = 37.45 cm-1, |E/D| = 5.59 cm-1, and ⟨g⟩ = 2.15 for 1, |D| = 36.78 cm-1, |E/D| = 4.92 cm-1, and ⟨g⟩ = 2.18 for 2, and information about the orientation of magnetic anisotropy vectors for both compounds." @default.
• W4319062297 created "2023-02-04" @default.
• W4319062297 creator A5032440598 @default.
• W4319062297 creator A5056352420 @default.
• W4319062297 creator A5059685927 @default.
• W4319062297 creator A5070493527 @default.
• W4319062297 creator A5082710009 @default.
• W4319062297 date "2023-02-03" @default.
• W4319062297 modified "2023-10-18" @default.
• W4319062297 title "Nonlinear Optical and Magnetic Properties of Fe^II-SCN-Hg^II Isomers: Centrosymmetric Layers and Chiral Networks" @default.
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