Theoretical Design of Novel Trinuclear Sandwich Complexes with Central M-3 Triangles (M = Ni, Pd, Pt)

CORC > 武汉物理与数学研究所 > 中国科学院武汉物理与数学研究所 > 2011年以前论文发表（包括2011年）

	Theoretical Design of Novel Trinuclear Sandwich Complexes with Central M-3 Triangles (M = Ni, Pd, Pt)
	Jin, Peng 1,2; Li, Fengyu 2; Chen, Zhongfang 2
刊名	JOURNAL OF PHYSICAL CHEMISTRY A
	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
内容类型	期刊论文
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.