Theoretical Study on Inverse Sandwich Complexes [E-C{5-n}H{5-n}Nn-E]+ and [E-C{5-n}H{5-n}Pn-E]+ (n=1, 2, 3; E=Al,Ga, In,Tl) |
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| Authors: | Nan-nan Liu Yi-hong Ding |
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| Institution: | 1.Chemistry Center, College of Food Engineering, Harbin University of Commerce, Haerbin 150028, China2.State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130012, China |
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| Abstract: | The inverse sandwiches E-C{5-n}H{5-n}Nn-E]+ and E-C{5-n}H{5-n}Pn-E]+ (n=1, 2, 3; E=Al, Ga, In, Tl) with low-valent boron group elements are studied. The (η5,η5) coordinated inverse sandwich E-C{5-n}H{5-n}Nn-E]+ is unstable in energy or nonexistent. However, the (η5,η5) coordinated E-C{5-n}H{5-n}Pn-E]+ is not only stable in energy, but also stable against dissociation. The dissoction stability E-C{5-n}H{5-n}Pn-E]+ with the same E element decreases as the number n increases, while for the certain n number, the dissociation energies with different E elements are close to each other. E-C4H4P-E]+ has similar dissocition stability to the well-known E-C5H5-E]+. The inteaction between C{5-n}H{5-n}Pn and lowvalent E element is mainly ionic. Since lone pairs of electrons locate on both E and P atoms, the (η5, η5) coordinated inverse sandwich E-C{5-n}H{5-n}Pn-E]+ would act as multi electron-donors. |
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| Keywords: | Low-valent Boron group elements Electron-donor Organometallic Heterocyclic |
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