Theoretical Design of Novel Trinuclear Sandwich Complexes with Central M-3 Triangles (M = Ni, Pd, Pt)
文献类型：期刊论文
| 作者 | Jin, Peng1,2; Li, Fengyu2; Chen, Zhongfang2 |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY A
 |
| 出版日期 | 2011-03-24 |
| 卷号 | 115期号:11页码:2402-2408 |
| 英文摘要 | On the basis of the 18-electron rule, we theoretically designed a series of sandwich complexes [M3L2(CO)(3)](q) (M = Ni, Pd, Pt; L = C7H7, P-5, P-6, As-5, As-6; q = 2+, 0, or 2-) by means of density functional theory computations. These sandwich structures are of high stability, revealed by their strong donating and back-donating metal ligand interactions, considerable aromatic characters as well as sizable energy gaps. All these proposed sandwich structures might serve as promising building blocks for new nanomaterials. |
| WOS标题词 | Science & Technology ; Physical Sciences |
| 类目[WOS] | Chemistry, Physical ; Physics, Atomic, Molecular & Chemical |
| 研究领域[WOS] | Chemistry ; Physics |
| 关键词[WOS] | D-ORBITAL AROMATICITY ; DENSITY-FUNCTIONAL THEORY ; INDEPENDENT CHEMICAL-SHIFTS ; COINAGE METAL-CLUSTERS ; TRANSITION-METAL ; DECKER SANDWICH ; MAGNETIC-PROPERTIES ; SIGMA-AROMATICITY ; AB-INITIO ; ELECTRONIC-STRUCTURE |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000288400900039 |
| 公开日期 | 2015-12-01 |
| 源URL | [http://ir.wipm.ac.cn/handle/112942/8216]  |
| 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.Chinese Acad Sci, Wuhan Ctr Magnet Resonance, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan Inst Phys & Math, Wuhan 430071, Peoples R China 2.Univ Puerto Rico, Dept Chem, San Juan, PR 00931 USA |
| 推荐引用方式 GB/T 7714 | Jin, Peng,Li, Fengyu,Chen, Zhongfang. Theoretical Design of Novel Trinuclear Sandwich Complexes with Central M-3 Triangles (M = Ni, Pd, Pt)[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2011,115(11):2402-2408. |
| APA | Jin, Peng,Li, Fengyu,&Chen, Zhongfang.(2011).Theoretical Design of Novel Trinuclear Sandwich Complexes with Central M-3 Triangles (M = Ni, Pd, Pt).JOURNAL OF PHYSICAL CHEMISTRY A,115(11),2402-2408. |
| MLA | Jin, Peng,et al."Theoretical Design of Novel Trinuclear Sandwich Complexes with Central M-3 Triangles (M = Ni, Pd, Pt)".JOURNAL OF PHYSICAL CHEMISTRY A 115.11(2011):2402-2408. |
入库方式： OAI收割
来源：武汉物理与数学研究所
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