2022
DOI: 10.1002/cphc.202200306
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Experimental and Theoretical Evidence of a Pb⋅⋅⋅Pb Ditetrel Bond Without a σ‐Hole

Abstract: 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, whi… Show more

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Cited by 5 publications
(7 citation statements)
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“…It is noteworthy that the absence of interactions with a σ-hole has recently been revealed for Pb⋯Pb ditetrel bonding. 66…”
Section: Resultsmentioning
confidence: 99%
See 1 more Smart Citation
“…It is noteworthy that the absence of interactions with a σ-hole has recently been revealed for Pb⋯Pb ditetrel bonding. 66…”
Section: Resultsmentioning
confidence: 99%
“…It is noteworthy that the absence of interactions with a σ-hole has recently been revealed for Pb⋯Pb ditetrel bonding. 66 The C⋯C/S interactions are structure directing and they are primarily responsible for the stabilization of binding mode b in the structures of (1-3)•ChDA. The orbital interaction (d z 2(Pt) → π*(ChDA)), playing a leading role in the formation of the Ch⋯Pt bond, is also favorable for such structural orientation of ChDA and 1-3, and the back Ch → Pt charge transfer additionally stabilizes this geometry.…”
Section: Clustermentioning
confidence: 99%
“…It might be added parenthetically that this same concept of s-holes lying along the extension of a covalent bond applies equally to a number of close cousins of the XB, such as chalcogen, pnicogen, and tetrel bonds, each named according to the column of the periodic table from which the bridging atom is drawn. [18][19][20][21][22][23][24][25][26][27][28][29] Extensive study of the XB has led to a number of general guidelines concerning its strength. Because of the dominating influence of the Coulombic attraction between the positive and negative regions of the acid and base, respectively, the magnification of the potential of either of these units will typically amplify the XB strength.…”
Section: Introductionmentioning
confidence: 99%
“…It might be added parenthetically that this same concept of σ-holes lying along the extension of a covalent bond applies equally to a number of close cousins of the XB, such as chalcogen, pnicogen, and tetrel bonds, each named according to the column of the periodic table from which the bridging atom is drawn. 18–29…”
Section: Introductionmentioning
confidence: 99%
“…The halogen bond, for example, occurs when it is Cl, Br, or I in this position, [8][9][10][11][12][13][14][15][16] with analogous designations for pnicogen and tetrel bonds as other classifications. [17][18][19][20][21][22][23][24][25] (First-row atoms like F and N rarely participate in these bonds. 26,27 ) The chief difference with HBs is that unlike the bridging H which is characterized by an overall partial positive charge, the electrostatic potential surrounding the replacement nucleus is more anisotropic and nuanced.…”
Section: Introductionmentioning
confidence: 99%