The Nature of Chalcogen-Bonding-Type Tellurium-Nitrogen Interactions: A First Experimental Structure from the Gas Phase

硫族键型碲氮相互作用的本质:气相实验解析的首个结构

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Abstract

(C(6) F(5) )Te(CH(2) )(3) NMe(2) (1), a perfluorophenyltellurium derivative capable of forming intramolecular N⋅⋅⋅Te interactions, was prepared and characterized. The donor-free reference substance (C(6) F(5) )TeMe (2) and the unsupported adduct (C(6) F(5) )(Me)Te⋅NMe(2) Et (2 b) were studied in parallel. Molecular structures of 1, 2 and 2 b were determined by single-crystal X-ray diffraction and for 1 and 2 by gas-phase electron diffraction. The structure of 1 shows N⋅⋅⋅Te distances of 2.639(1) Å (solid) and 2.92(3) Å (gas). Ab initio plus NBO and QTAIM calculations show significant charge transfer effects within the N⋅⋅⋅Te interactions and indicate σ-hole interactions.

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