Synthesis, crystal structures and characterization of Nickel(II) complexes with dithiobenzoate derivatives
New nickel(II) complexes with dithiobenzoate ligands, [NiII(Me-dtb)2] and [NiII(Oct-dtb)2]2 (Me-dtb = 4-methyl-dithiobenzoate and Oct-dtb = 4-octyl-dithiobenzoate), were synthesized and structurally characterized using X–ray diffraction analysis. [NiII(Me-dtb)2] has a mononuclear structure, includin...
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| Format: | Article |
| Language: | English |
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Elsevier
2022-01-01
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| Series: | Results in Chemistry |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2211715622001898 |
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| author | Tomoki Nishiyama Naohiro Takahashi Takuto Mibu Masahiko Maekawa Takayoshi Kuroda-Sowa Yusaku Suenaga Takashi Okubo |
| author_facet | Tomoki Nishiyama Naohiro Takahashi Takuto Mibu Masahiko Maekawa Takayoshi Kuroda-Sowa Yusaku Suenaga Takashi Okubo |
| author_sort | Tomoki Nishiyama |
| collection | DOAJ |
| description | New nickel(II) complexes with dithiobenzoate ligands, [NiII(Me-dtb)2] and [NiII(Oct-dtb)2]2 (Me-dtb = 4-methyl-dithiobenzoate and Oct-dtb = 4-octyl-dithiobenzoate), were synthesized and structurally characterized using X–ray diffraction analysis. [NiII(Me-dtb)2] has a mononuclear structure, including a nickel(II) ion with a square planar coordination geometry, and [NiII(Oct-dtb)2]2 has a dinuclear structure connected by weak Ni•••S interactions in the apical position of the nickel ion. The solutions of these complexes show strong light absorption at approximately 600 nm with a dark blue color. To reveal the electronic states and mechanism of the light absorption of Ni(II)- dithiobenzoate complexes, optimization of the ground-state molecular structures and excited-state calculations for [NiII(dtb)2] (dtb = dithiobenzoate) and [NiII(Me2dtc)2] (Me2dtc = dimethyl-dithiocarbamate) were performed by DFT/B3LYP method and TD-DFT/CAM-B3LYP method, respectively. |
| first_indexed | 2024-04-13T05:23:30Z |
| format | Article |
| id | doaj.art-82410d83f1274b56af2a68d81c3bfb72 |
| institution | Directory Open Access Journal |
| issn | 2211-7156 |
| language | English |
| last_indexed | 2024-04-13T05:23:30Z |
| publishDate | 2022-01-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Results in Chemistry |
| spelling | doaj.art-82410d83f1274b56af2a68d81c3bfb722022-12-22T03:00:40ZengElsevierResults in Chemistry2211-71562022-01-014100470Synthesis, crystal structures and characterization of Nickel(II) complexes with dithiobenzoate derivativesTomoki Nishiyama0Naohiro Takahashi1Takuto Mibu2Masahiko Maekawa3Takayoshi Kuroda-Sowa4Yusaku Suenaga5Takashi Okubo6Department of Chemistry, Kindai University, 3-4-1 Kowakae, Higashi-Osaka-shi, Osaka 577-8502, JapanDepartment of Chemistry, Kindai University, 3-4-1 Kowakae, Higashi-Osaka-shi, Osaka 577-8502, JapanDepartment of Chemistry, Kindai University, 3-4-1 Kowakae, Higashi-Osaka-shi, Osaka 577-8502, JapanResearch Institute for Science and Technology, Kindai University, 3-4-1 Kowakae, Higashi-Osaka-shi, Osaka 577-8502, JapanDepartment of Chemistry, Kindai University, 3-4-1 Kowakae, Higashi-Osaka-shi, Osaka 577-8502, JapanDepartment of Chemistry, Kindai University, 3-4-1 Kowakae, Higashi-Osaka-shi, Osaka 577-8502, JapanDepartment of Chemistry, Kindai University, 3-4-1 Kowakae, Higashi-Osaka-shi, Osaka 577-8502, Japan; Research Institute for Science and Technology, Kindai University, 3-4-1 Kowakae, Higashi-Osaka-shi, Osaka 577-8502, Japan; Corresponding author at: Research Institute for Science and Technology, Kindai University, 3-4-1 Kowakae, Higashi-Osaka-shi, Osaka 577-8502, Japan.New nickel(II) complexes with dithiobenzoate ligands, [NiII(Me-dtb)2] and [NiII(Oct-dtb)2]2 (Me-dtb = 4-methyl-dithiobenzoate and Oct-dtb = 4-octyl-dithiobenzoate), were synthesized and structurally characterized using X–ray diffraction analysis. [NiII(Me-dtb)2] has a mononuclear structure, including a nickel(II) ion with a square planar coordination geometry, and [NiII(Oct-dtb)2]2 has a dinuclear structure connected by weak Ni•••S interactions in the apical position of the nickel ion. The solutions of these complexes show strong light absorption at approximately 600 nm with a dark blue color. To reveal the electronic states and mechanism of the light absorption of Ni(II)- dithiobenzoate complexes, optimization of the ground-state molecular structures and excited-state calculations for [NiII(dtb)2] (dtb = dithiobenzoate) and [NiII(Me2dtc)2] (Me2dtc = dimethyl-dithiocarbamate) were performed by DFT/B3LYP method and TD-DFT/CAM-B3LYP method, respectively.http://www.sciencedirect.com/science/article/pii/S2211715622001898Nickel(II) complexDithiobenzoate ligandUV–vis absorption spectraDFT calculation |
| spellingShingle | Tomoki Nishiyama Naohiro Takahashi Takuto Mibu Masahiko Maekawa Takayoshi Kuroda-Sowa Yusaku Suenaga Takashi Okubo Synthesis, crystal structures and characterization of Nickel(II) complexes with dithiobenzoate derivatives Results in Chemistry Nickel(II) complex Dithiobenzoate ligand UV–vis absorption spectra DFT calculation |
| title | Synthesis, crystal structures and characterization of Nickel(II) complexes with dithiobenzoate derivatives |
| title_full | Synthesis, crystal structures and characterization of Nickel(II) complexes with dithiobenzoate derivatives |
| title_fullStr | Synthesis, crystal structures and characterization of Nickel(II) complexes with dithiobenzoate derivatives |
| title_full_unstemmed | Synthesis, crystal structures and characterization of Nickel(II) complexes with dithiobenzoate derivatives |
| title_short | Synthesis, crystal structures and characterization of Nickel(II) complexes with dithiobenzoate derivatives |
| title_sort | synthesis crystal structures and characterization of nickel ii complexes with dithiobenzoate derivatives |
| topic | Nickel(II) complex Dithiobenzoate ligand UV–vis absorption spectra DFT calculation |
| url | http://www.sciencedirect.com/science/article/pii/S2211715622001898 |
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