An insight into triel bonds in O,O′-diarylphosphorodithioates of thallium(i): experimental and theoretical investigations

Abstract

The vital role of triel bonding (TrB) has been highlighted in two new thallium compounds i.e. Tl+[{(4-C2H5)C6H4O}2PS2]2- (1) and Tl[{(4-(CH)CH3)2C6H4O}2PS2]2 (2). These new compounds have been characterized by elemental and...

Experimental and Theoretical Study of Tetrel Bonding and Noncovalent Interactions in Hemidirected Lead(II) Phosphorodithioates: An Implication on Crystal Engineering

“…All starting materials and solvents of reagent grade were commercially procured from Sigma-Aldrich and used as such without further purification. The ligands {(4-C­(CH 3 ) 3 )­C 6 H 4 O} 2 PS 2 Na and {(4-C 2 H 5 )­C 6 H 4 O} 2 PS 2 Na were synthesized by reported method. − , …”

“…The ligands {(4-C(CH 3 ) 3 )C 6 H 4 O} 2 PS 2 Na and {(4-C 2 H 5 )C 6 H 4 O} 2 PS 2 Na were synthesized by reported method. [83][84][85]87 Caution! All the experimental manipulation were conducted under a fume hood, as lead and its compounds are highly toxic.…”

“…Tetrel bonds in dithiophosphate complexes have not been theoretically discussed in detail, to the best of our knowledge. Apropos to the above facts as well as the persistence of our ongoing research interest in noncovalent interactions, [83][84][85]87 we report herein for the first time tetrel bonds in dithiophosphate complexes of lead(II), Pb[S 2 P{OC 6 H 4 (4-C(CH 3 ) 3 )} 2 ] 2 (1) and Pb[S 2 P{OC 6 H 4 (4-C 2 H 5 )} 2 ] 2 (2), which showed the presence of a σ-hole at the Pb atom and the considerable strength of these interactions.…”

“…Recently, researchers have reported Pb­(II)-based supramolecular structures created by various noncovalent interactions comprising TtBs. − Pb­(II) complexes have attracted surprising attention from inorganic researchers in terms of its versatile coordination chemistry, i.e. a hemidirected structure for n ≤ 5 while a holodirected structure for n ≥ 6, where n is the coordination number. − We have recently reported spodium and triel bonding in dithiophosphate complexes of Zn, Cd, Hg, and Tl in their solid state crystal structures. − Spodium , and triel bonds can be defined as attractive noncovalent interactiona between any element of groups 12 and 13, respectively, acting as electron acceptors (σ-hole donors) and any atom or group of atoms acting as electron donors (σ-hole acceptors).…”

Thallium(i)phosphorodithioates containing intra- and intermolecular π-hole triel bonds

“…The present investigation is an extension of our ongoing research interest in non-covalent interactions. 40–46 We herein designed and characterized two new diaryldithiophosphato- S , S ′-thallium compounds, corresponding to Tl + [S 2 P{OC 6 H 3 (2,5-(CH 3 ) 2 )} 2 ] − ( 1 ) and Tl + [S 2 P{OC 6 H 3 (3,5-(CH 3 ) 2 )} 2 ] − ( 2 ), consisting of a π-hole at the Tl atom, which results in Tl–C/S triel bonds. In this study, we placed particular focus on the self-assembled structures formed by Tl( i )⋯S, Tl( i )⋯C TrBs, anagostic, and other non-covalent interactions.…”