Experimental and theoretical study of C-13 shielding tensors in new-style molybdenum complex
文献类型：期刊论文
| 作者 | Hou, GJ; Wang, LY; Lu, XM; Zheng, AM; Deng, F; Ye, CH |
| 刊名 | SCIENCE IN CHINA SERIES B-CHEMISTRY
 |
| 出版日期 | 2004-06-01 |
| 卷号 | 47期号:3页码:214-221 |
| 关键词 | NMR magic angle spinning chemical shift anisotropy shielding tensor cis-dioxo-monomolybdenum |
| 英文摘要 | C-13 2D-PASS spectra of two new cis-dioxo catecholatomolybdenum complexes (NH2CH2NH2CHCH3)(2)(H+)(3)[(MoO2)-O-(v)(C6H4O2)(2)] and (NH2CH2CH2CH2NH2)(2)(H+)(3)[(MoO2)-O-(v) (C6H4O2)(2)] have been obtained by solid-state nuclear magnetic resonance (NMR), in which the spinning sidebands were well-separated. The principal components of the C-13 shielding tensors were extracted by theoretically fitting the intensities of C-13 spinning sidebands. The effects of counter cations on C-13 chemical shift isotropy and shielding tensor of cis-dioxo catecholatomolybdenum complex anion [(MoO2)-O-(v)(C6H4O2)(2)](3-) were studied, comparing the C-13 CSA of those carbon sites in complex anions with that of the counter cations. Based on the known structure of the molybdenum complex crystal, theoretical values of C-13 shielding tensors were calculated by the ab initio GIAO method, in comparison with the experimental results. |
| WOS标题词 | Science & Technology ; Physical Sciences |
| 类目[WOS] | Chemistry, Multidisciplinary |
| 研究领域[WOS] | Chemistry |
| 关键词[WOS] | CHEMICAL-SHIFT ANISOTROPY ; ANGLE-SPINNING NMR ; MAGIC-ANGLE ; SPECTRA ; SOLIDS ; RESOLUTION ; PATTERNS ; SAMPLES |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000222903400006 |
| 公开日期 | 2015-12-08 |
| 源URL | [http://ir.wipm.ac.cn/handle/112942/9008]  |
| 专题 | 武汉物理与数学研究所_2011年以前论文发表（包括2011年） |
| 作者单位 | 1.Huazhong Univ Sci & Technol, Dept Phys, Wuhan 430074, Peoples R China 2.Chinese Acad Sci, Wuhan Inst Phys & Math, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan 430071, Peoples R China 3.Capital Normal Univ, Dept Chem, Beijing 100037, Peoples R China |
| 推荐引用方式 GB/T 7714 | Hou, GJ,Wang, LY,Lu, XM,et al. Experimental and theoretical study of C-13 shielding tensors in new-style molybdenum complex[J]. SCIENCE IN CHINA SERIES B-CHEMISTRY,2004,47(3):214-221. |
| APA | Hou, GJ,Wang, LY,Lu, XM,Zheng, AM,Deng, F,&Ye, CH.(2004).Experimental and theoretical study of C-13 shielding tensors in new-style molybdenum complex.SCIENCE IN CHINA SERIES B-CHEMISTRY,47(3),214-221. |
| MLA | Hou, GJ,et al."Experimental and theoretical study of C-13 shielding tensors in new-style molybdenum complex".SCIENCE IN CHINA SERIES B-CHEMISTRY 47.3(2004):214-221. |
入库方式： OAI收割
来源：武汉物理与数学研究所
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