Diorganostannoxanes Stabilized by Intramolecular N→Sn Coordination Approach: Synthesis, Structure, TD-DFT and Hirshfeld Surface Analysis

Hypercoordination by Multiple Dangling Benzylmethoxy Ligands in Highly Crowded Triaryltin Bromide [(2‐MeOCH2C6H4)]3SnBr and Diaryltin Mixed Halides [(2‐MeOCH2C6H4)]2SnBrCl, and a related Distannane and Distannoxane

“…[24] The SnÀ C bond distance of 2.166 Å is also in the middle range of SnÀ C bond distances of other distannanes [22][23][24] Due to the use of SnCl 4 as a reagent in the synthetic pathway, compound 4, [{2-(MeOCH 2 )C 6 H 4 )} 2 SnBr] 2 O, also shows a composition with a Br/Cl mixture 64/36. Similar distannoxane compounds have been reported earlier: (μ-oxo)-dichlorotetrakis(2-(phenylazo)phenyl)-tin, [25] (μ 2 -oxo)-bis(N,N-dimethyl-1phenylmethanamine)-dichloro-di-phenyl-di-tin(iv), [26] (μ 2 -oxo)tetrakis(2-[(dimethylamino)methyl]phenyl)-dichloro-di-tin, [27] and (μ 2 -oxo)-bis(bis(2,4,6-tris(trifluoromethyl)phenyl)-chloro- tin(iv)). [28] In these distannoxanes the SnÀ OÀ Sn angle ranges from 137°to 144°, thus the Sn-OÀ Sn angle in 4 of 148.1(2)°is the largest to date, Figure 5a.…”

“…The Newman projection of 4 along the SnÀ OÀ Sn bond is shown in Figure 5b. On comparing the dihedral angle XÀ SnÀ SnÀ X in different distannoxanes, the perfluorinated distannoxane [28] exhibits a narrow angle of 35.54(5)°, whereas for other distannoxane [25] the dihedral angle is wide at 133. BrCl (b)) are synthesized and characterized.…”

Stabilization of unusual discrete diorganotin carboxylates using the intramolecular coordination approach: synthesis, structure, TD-DFT, and Hirshfeld surface analyses

“…The supramolecular studies of 4 & 5 involve C–H⋯π, C–H⋯N, and C–H⋯O interactions to form 1-D chain and 2-D architectures. The intramolecular coordination of the O atom of the uncoordinated carbonyl with the H atom of the hydroxyl bridge constructs two six-membered rings connected via a cyclic Sn 2 O 2 ring in both complexes 20,36 [Fig. S12–S16 in the ESI†].…”

“…These types of electronic transitions have previously been observed in several organotin complexes with absorption maxima in the range of 300–350 nm. 36,37…”

“…These types of electronic transitions have previously been observed in several organotin complexes with absorption maxima in the range of 300-350 nm. 36,37 Hirshfeld surface analyses Utilizing Crystal Explorer 3.1, we generated molecular Hirshfeld surfaces and 2D fingerprint plots in order to better understand the surface phenomena and intermolecular interactions. Mapping of Hirshfeld surfaces of complexes 1-5 is considered on the grounds of the normalized contact distance d norm (Fig.…”