【摘要】 研究了含有低价族元素的反夹心化合物[E-C_5-nH_5-nN_n-E]⁺和[E-C_5-nH_5-nP_n-E]⁺（n=1,2,3;E=Al,Ga,In,T1）.（η⁵,η⁵）配位的反夹心构型[E-C_5-nH5_5-nN_n-E]⁺在能量上不稳定或不存在.而（η⁵,η⁵）配位的反夹心构型[E-C_5-nH_5-nP_n-E]⁺不但在能量上稳定,在解离过程中也具有稳定性.对于含有相同的E元素来说,[E-C_5-nH_5-nP_n-E]⁺的解离稳定性随着n的增加而降低;而对于确定的n来说,含有不同E的化合物的解离能是类似的.其中[E-C₄H₄P-E]⁺的解离稳定性与已知的[E-C₅H₅-E]⁺非常相似.C_5-nH_5-nP_n与E之间的相互作用主要是离子性的.由于在（η⁵,η⁵）配位的[E-C_5-nH_5-nP_n-E]⁺中,E和P原子上都具有孤对电子,因此该反夹心化合物可以作为多电子供体.更多还原

【Abstract】 The inverse sandwiches[E-C_5-nH_5-nN_n-E]⁺ and[E-C_5-nH_5-nP_n-E]⁺（n=1,2,3;E=A1,Ga,In,T1） with low-valent boron group elements are studied.The {rf,rf) coordinated inverse sandwich[E-C_5-nH_5-nN_n-E]⁺ is unstable in energy or nonexistent.However,the（η⁵,η⁵） coordinated[E-C_5-nH_5-nP_n-E]⁺ is not only stable in energy,but also stable against dissociation.The dissoction stability[E-C_5-nH_5-nP_n-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-nH_5-nP_n 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-nH_5-nP_n-E]⁺ would act as multi electron-donors.更多还原