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| Structural Characterizations for Two-Coordinate β-Diketiminato Gallium(Ⅰ) Carbene Analogue Synthesized via Reduction |
| Author Name | Affiliation | E-mail | | LIU Jing-Jing | College of Chemistry and Materials Science, Key Laboratory of Synthetic and Natural Functional Molecule of Ministry of Education, Shaanxi Key Laboratory of Physico-Inorganic Chemistry, Northwest University, Xi'an 710127, China | | | SHANG Jian-Xuan | Shaanxi Coal and Chemical Industry Group Co., Ltd., Xi'an 710054, China | | | GUO Yan | State Key Laboratory of High-Efficiency Utilization of Coal and Green Chemical Engineering, National Demonstration Center for Experimental Chemistry Education, College of Chemistry and Chemical Engineering, Ningxia University, Yinchuan 750021, China | | | GAO Fang-Fang | College of Chemistry and Materials Science, Key Laboratory of Synthetic and Natural Functional Molecule of Ministry of Education, Shaanxi Key Laboratory of Physico-Inorganic Chemistry, Northwest University, Xi'an 710127, China | | | WEI Jing | College of Chemistry and Materials Science, Key Laboratory of Synthetic and Natural Functional Molecule of Ministry of Education, Shaanxi Key Laboratory of Physico-Inorganic Chemistry, Northwest University, Xi'an 710127, China | | | ZENG Fan-Long | College of Chemistry and Materials Science, Key Laboratory of Synthetic and Natural Functional Molecule of Ministry of Education, Shaanxi Key Laboratory of Physico-Inorganic Chemistry, Northwest University, Xi'an 710127, China | | | LI An-Yang | College of Chemistry and Materials Science, Key Laboratory of Synthetic and Natural Functional Molecule of Ministry of Education, Shaanxi Key Laboratory of Physico-Inorganic Chemistry, Northwest University, Xi'an 710127, China | | | WANG Wen-Yuan | College of Chemistry and Materials Science, Key Laboratory of Synthetic and Natural Functional Molecule of Ministry of Education, Shaanxi Key Laboratory of Physico-Inorganic Chemistry, Northwest University, Xi'an 710127, China | wangwy@nwu.edu.cn |
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| Abstract: The β-diketiminate ligands without substituents containing active sites exhibit good electron stabilization effect and sterically protection for the low-valent metal center. Potassium was able to reduce β-diketiminato gallium(Ⅲ) dichloride PhC(PhCN-Dip)2GaCl2 (2, Dip=2, 6-iPr2C6H3) to highly yield a new β-diketiminato gallium (Ⅰ) carbene analogue PhC(PhCN-Dip)2Ga:(3) as a monomeric molecule. The structures and composition of compounds 2 and 3 were characterized by the X-ray single-crystal diffraction and the NMR spectroscopies. The central Ga(Ⅰ) ion of 3 occupies a point angle of the six-membered N-heterocyclic plane with a distorted two-coordinate geometry. Theoretical calculations show that the HOMO corresponded to the lone pair electrons at the Ga center, which had a low energy level of -6.352 eV, while the LUMO+1 was associated with the empty p-orbital of Ga with an energy of 601.0 kJ·mol-1 higher than the HOMO, indicating that 3 is a gallium(Ⅰ) carbene analogue and isostructural to N-heterocyclic carbene, and the lone pair of Ga(Ⅰ) ion has good thermal stability. |
| Keywords: β-diketiminate reduction gallium(Ⅰ) carbene analogue low coordination complex |
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| LIU Jing-Jing,SHANG Jian-Xuan,GUO Yan,GAO Fang-Fang,WEI Jing,ZENG Fan-Long,LI An-Yang,WANG Wen-Yuan.Structural Characterizations for Two-Coordinate β-Diketiminato Gallium(Ⅰ) Carbene Analogue Synthesized via Reduction[J].Chinese Journal of Inorganic Chemistry,2022,38(5):843-849. |
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