New di-n-butyltin(iv)-bis-(1-alkoxy-isoquinoline-4-nitrile thiolate): crystallographic and computational studies

Abstract

The reaction between di-n-butyltin(IV) chloride with the dinegative dithiolate ligand 2-(cyanobenzo)nitrile-dithiolate in two different alcoholic media viz. methyl alcohol and ethyl alcohol fortuitously yielded di-n-butyltin(IV)-bis-(1-methoxy-isoquinoline-4-nitrile thiolate) (Sn-Me) and di-n-butyltin(IV)-bis-(1-ethoxy-isoquinoline-4-nitrile thiolate)...

New heteroleptic bis-(diphenylphosphino)ethane appended dialkyldithiophosphate cobalt(iii) cations: apt electrocatalysts for the heterogeneous oxygen evolution reaction and homogeneous hydrogen evolution reaction

“…4), as these calculations provide visual insight into the intermolecular interactions responsible for the packing of molecules in crystals. 18–20 The d norm surfaces for both complexes have been mapped between −0.50 to +1.50 Å. The presence of white surfaces indicated contacts having distances equal to the sum of van der Waals radii, whilst the red- and blue-colored regions indicated distances of stronger and weaker contacts, respectively.…”

New heteroleptic 1,2-bis(diphenylphosphino)ethane appended cobalt(iii) ferrocene dithiocarbamates as sensitizers in dye-sensitized solar cells (DSSCs)

“…In the fingerprint plots 18–20 for both compounds, the complementary regions have been presented where one molecule behaves as a donor ( d e > d i ) whilst another acts as an acceptor ( d e < d i ). In Co-FcBz , the C–H⋯π and S⋯H intermolecular interactions display distinct paired spike features while C⋯S and F⋯H do not exhibit any.…”

1,1′-Bis-(diphenylphosphino)ferrocene appended d8- and d10-configuration based thiosquarates: the molecular and electronic configurational insights into their sensitization and co-sensitization properties for dye sensitized solar cells

“…In the FT-IR spectra of all three complexes the appearance of sharp bands around 1092 cm −1 and 1102 cm −1 could be ascribed to ν C-S of mtsq ligands. 41,42 Also, the medium intensity bands appearing between 1702-1764 cm −1 could be assigned to conjugated carbonyl groups of the mtsq ring. Further, the 1 H NMR spectroscopy was performed to assess the purity and composition of all three complexes.…”

“…Hence, on light irradiation the ZnL 2 and CdL 2 can effectively transfer their excited electrons to N719 dye, thereby enhancing the dye's electron injection capabilities. 29,41 This efficient electron transfer leads to higher overall efficiency in converting light energy to electricity. However, the excited state in NiL 2 is at lower energy position than N719 dye.…”

“…This intriguing ligand class can give rise to the creation of chelating and bis-(chelating) coordination modes in corresponding metal complexes. [38][39][40][41] In the construction of heteroleptic complexes containing a tertiary phosphine ligand incorporating a ferrocene unit, the thiosquarate ligands, featuring carbonyl anchors, can engage with the Ti 4+ center within the titanium dioxide semiconductor. [1][2][3][4][5] Consequently, these heteroleptic complexes have the potential to function as effective sensitizers and co-sensitizers in dye-sensitized solar cells (DSSCs).…”