期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 13, 期 10, 页码 4576-4582出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c0cp01519a
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The nature of bonding and aromaticity of Ti-3(CO)(3), a mill-shaped metal-carbonyl complex, is studied carefully. A unique bonding mechanism between metal and carbonyl groups is found in this species. Ti-3(CO)(3) is an example of a metal-carbonyl complex with prominent metal to carbonyl donation. Moreover, it is proven that not only is Ti-3(CO)(3) not an antiaromatic complex but also it is the first synthesized example of d-block, sigma+pi aromatic species. A quick survey among the first row of transition metals in the periodic table shows that other local minima with similar structures and aromaticity are present and Ti-3(CO)(3) is the first synthesized species of an unknown family.
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