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	Synthesis and reaction of {HC(CMeNAr)(2)}Mn (2) (Ar=2,6-iPr(2)C(6)H(3)): The complex containing three-coordinate manganese(I) with a Mn-Mn bond exhibiting unusual magnetic properties and electronic structure
	Chai, J. F. ; Zhu, H. P. ; Stuckl, A. C. ; Roesky, H. W. ; Magull, J. ; Bencini, A. ; Caneschi, A. ; Gatteschi, D. ; Zhu HP(朱红平)
	2005
关键词	BETA-DIKETIMINATE LIGAND TRANSITION-METAL DIMERS RECOMBINATION KINETICS BIS(MU-OXO) COMPLEXES DIOXYGEN ACTIVATION COPPER EXCHANGE ENERGY IRON GAS
英文摘要	This paper reports on the synthesis, X-ray structure, magnetic properties, and DFT calculations of [{HC(CMeNAr)(2)}Mn](2) (Ar = 2,6-iPr(2)C(6)H(3)) (2), the first complex with three-coordinate manganese(l). Reduction of the iodide [{HC(CMeNAr)(2)}Mn(mu-l)](2) (1) with Na/K in toluene afforded 2 as dark-red crystals. The molecule of 2 contains a Mn-2(2+) core with a Mn-Mn bond. The magnetic investigations show a rare example of a high-spin manganese(l) complex with an antiferromagnetic interaction between the two Mn(l) centers. The DFT calculations indicate a strong s-s interaction of the two Mn(l) ions with the open shell configuration (3d(5)4s(1)). This suggests that the magnetic behavior of 2 could be correctly described as the coupling between two S-1 = S-2 = (5)/(2) spin centers. The Mn-Mn bond energy is estimated at 44 kcal mol(-1) by first principle calculations with the B3LYP functional. The further oxidative reaction of 2 with KMnO4 or 02 resulted in the formation of manganese(III) oxide [{HC(CMeNAr)(2)}Mn(mu-O)](2) (3). Compound 3 shows an antiferromagnetic coupling between the two oxo-bridged manganese(III) centers by magnetic measurements.
语种	英语
内容类型	期刊论文
源URL	[http://dspace.xmu.edu.cn/handle/2288/62149]
专题	化学化工－已发表论文
推荐引用方式 GB/T 7714	Chai, J. F.,Zhu, H. P.,Stuckl, A. C.,et al. Synthesis and reaction of {HC(CMeNAr)(2)}Mn (2) (Ar=2,6-iPr(2)C(6)H(3)): The complex containing three-coordinate manganese(I) with a Mn-Mn bond exhibiting unusual magnetic properties and electronic structure[J],2005.
APA	Chai, J. F..,Zhu, H. P..,Stuckl, A. C..,Roesky, H. W..,Magull, J..,...&朱红平.(2005).Synthesis and reaction of {HC(CMeNAr)(2)}Mn (2) (Ar=2,6-iPr(2)C(6)H(3)): The complex containing three-coordinate manganese(I) with a Mn-Mn bond exhibiting unusual magnetic properties and electronic structure..
MLA	Chai, J. F.,et al."Synthesis and reaction of {HC(CMeNAr)(2)}Mn (2) (Ar=2,6-iPr(2)C(6)H(3)): The complex containing three-coordinate manganese(I) with a Mn-Mn bond exhibiting unusual magnetic properties and electronic structure".(2005).

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