中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
Sulfur Dioxide Complexes of Main-Group Elements: from SO20 to SO2- and SO22- upon Coordination to Aluminum and Silicon Difluorides

文献类型:期刊论文

作者Wei, R; Chen, XT; Gong, Y
刊名INORGANIC CHEMISTRY
出版日期2020
卷号59期号:7页码:4703-4710
关键词DENSITY-FUNCTIONAL CALCULATIONS MATRIX INFRARED-SPECTRA CORRELATION-ENERGY CHEMISTRY MONOXIDE HYDROGEN ATOMS APPROXIMATION LANTHANIDE MECHANISM
ISSN号0020-1669
DOI10.1021/acs.inorgchem.9b03780
文献子类期刊论文
英文摘要The AlF2(O2S) and SiF2(O2S) complexes with bidentately coordinated sulfur dioxide ligands were prepared via the reactions of aluminum and silicon atoms with SO2F2 under UV-vis irradiation in cryogenic matrixes. The products were identified by infrared spectroscopy as well as DFT frequency calculations, and nonplanar C-2, structures with the SO2 ligand bound to Al/Si via two oxygen atoms were established. In spite of the similarity in geometric structures, the electronic structures of AlF2(O2S) and SiF2(O2S) are completely different. The longer S-O bond length and the lower O-S-O stretching vibrational frequencies of SiF2(O2S) in comparison to those of AlF2(O2S) indicate that SiF2(O2S) possesses a singlet SO22--like ligand while the SO2 ligand is better described as SO2- in AlF2(O2S), which is further confirmed by bonding and population analysis. Linear correlations were established between the experimental O-S-O stretching frequencies and calculated S-O bond lengths of SO2, AlF2(O2S), and AlF2(O2S), suggesting that the S-O bond is gradually activated when SO2 is coordinated to AlF2 and SiF2.
语种英语
源URL[http://ir.sinap.ac.cn/handle/331007/33172]  
专题上海应用物理研究所_中科院上海应用物理研究所2011-2017年
作者单位1.Univ Chinese Acad Sci, Sch Nucl Sci & Technol, Beijing 100049, Peoples R China
2.Chinese Acad Sci, Shanghai Inst Appl Phys, Dept Radiochem, Shanghai 201800, Peoples R China
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GB/T 7714
Wei, R,Chen, XT,Gong, Y. Sulfur Dioxide Complexes of Main-Group Elements: from SO20 to SO2- and SO22- upon Coordination to Aluminum and Silicon Difluorides[J]. INORGANIC CHEMISTRY,2020,59(7):4703-4710.
APA Wei, R,Chen, XT,&Gong, Y.(2020).Sulfur Dioxide Complexes of Main-Group Elements: from SO20 to SO2- and SO22- upon Coordination to Aluminum and Silicon Difluorides.INORGANIC CHEMISTRY,59(7),4703-4710.
MLA Wei, R,et al."Sulfur Dioxide Complexes of Main-Group Elements: from SO20 to SO2- and SO22- upon Coordination to Aluminum and Silicon Difluorides".INORGANIC CHEMISTRY 59.7(2020):4703-4710.

入库方式: OAI收割

来源:上海应用物理研究所

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