| Binuclear Alkaline Earth Metal Compounds (Be, Mg, Ca, Sr, Ba) with alpha-Diimine Ligands: A Computational Study | |
| Department | 羰基合成与选择氧化国家重点实验室 ; 精细石油化工中间体国家工程研究中心 |
Li SG(李少光); Yang XJ(杨晓娟) ; Liu YY(刘艳艳); Zhao YX(赵艳霞); Li QS(李乾树); Xie YM(谢耀明); Henry F. Schaefer; Wu B(吴彪)
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| 2011 | |
| Source Publication | Organometallics
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| ISSN | 0276-7333 |
| Volume | 30Issue:11Pages:3113-3118 |
| Abstract | A series of dinuclear alkaline earth metal (Ae) structures Na2- [(CHNH)2Ae Ae(CHNH)2] (1 5) and (CHNH)2Ae Ae(CHNH)2 (6 10) containing Ae Ae bonds were optimized using density functional theory (DFT) and hybrid Hatree-Fock/DFT methods. The geometric and NBO analyses indicate that there are covalent Ae Ae bonds in these R-diimine-stabilized structures, which have been further investigated by NBO second-order interaction and bond dissociation energetic examinations. |
| Subject Area | 金属有机 |
| Funding Organization | the National Natural Science Foundation of China (20771103 and 20972169) |
| Indexed By | SCI |
| Language | 英语 |
| Funding Project | 金属有机与超分子催化研究组 ; 金属有机功能材料研究组 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.licp.cn/handle/362003/320 |
| Collection | 羰基合成与选择氧化国家重点实验室（OSSO） 精细石油化工中间体国家工程研究中心（ERC） |
| Corresponding Author | Yang XJ(杨晓娟) |
| Recommended Citation GB/T 7714 | Li SG,Yang XJ,Liu YY,et al. Binuclear Alkaline Earth Metal Compounds (Be, Mg, Ca, Sr, Ba) with alpha-Diimine Ligands: A Computational Study[J]. Organometallics,2011,30(11):3113-3118. |
| APA | 李少光.,杨晓娟.,刘艳艳.,赵艳霞.,李乾树.,...&吴彪.(2011).Binuclear Alkaline Earth Metal Compounds (Be, Mg, Ca, Sr, Ba) with alpha-Diimine Ligands: A Computational Study.Organometallics,30(11),3113-3118. |
| MLA | 李少光,et al."Binuclear Alkaline Earth Metal Compounds (Be, Mg, Ca, Sr, Ba) with alpha-Diimine Ligands: A Computational Study".Organometallics 30.11(2011):3113-3118. |
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| 48-Organometallics, （793KB） | 开放获取 | License | View Application Full Text | |||
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