مشخصات پژوهش

صفحه نخست /Experimental and Theoretical ...
عنوان Experimental and Theoretical Evidence of a Pb⋅⋅⋅Pb Ditetrel Bond Without a σ-Hole
نوع پژوهش مقاله چاپ‌شده در مجلات علمی
کلیدواژه‌ها tetrel bond · energy decomposition · noncovalent bonds · σ-hole · crystal structure
چکیده The crystal structure of a newly synthesized compound, [PbL(Ac)]2, (where L=2 (amino(pyrazin-2-yl) methylene) hydrazinecarbothioamide, Ac=acetate anion) exhibits a close contact between pairs of Pb atoms, suggesting a ditetrel bond, in addition to two Pb⋅⋅⋅O tetrel bonds, and two C−H⋅⋅⋅O H-bonds. The presence of this ditetrel bond as an attractive component is confirmed by various quantum chemical methods. This novelty of this particular bond is its existence even in the absence of a σ-hole on the Pb atom, which is typically considered a prerequisite for a bond of this type. From a wider perspective, a survey of the Cambridge Structural Database suggests this bond may be more common than was hitherto thought, with 44 examples of Pb⋅⋅⋅Pb contacts amongst a total number of 219 examples of T⋅⋅⋅T interactions in general (T=Si, Ge, Sn, Pb).
پژوهشگران استیو سینیر (نفر ششم به بعد)، اننیو زانگراندو (نفر ششم به بعد)، آلفونزو کاستیناراس (نفر پنجم)، ایزابل گارسیا (نفر چهارم)، قدرت محمودی (نفر سوم)، مارییسوز میخالزیک (نفر دوم)، ویکتور زیرکیوچ (نفر اول)