As(III)/Sb(III)/Bi(III)–halide distances and stretching vibrations. An application of the Varshni relationship upon hypervalent group 15 compounds

Electronic reorganization: Origin of sigma trans promotion effect

“…Most of these properties reflect “local bond strength,”39, 46 which is commonly associated with a bond in a chemical species, a single point on a potential energy surface, PES. In contrast, chemical processes involve features of several such points, and can be used to define “nonlocal bond strength”39 properties such as bond dissociation energy , BDE,47–52 and bond energy term , BET49–51; the nonlocality is reflected in related terms such as “binding strength,”53 “bonding strength,”54 “strength of binding,”55 and “strength of coordination.”56 Correlations between bond properties25, 30, 38, 39, 57–84 sometimes take the nonlocality into account defining reorganization energy . For example, for the process of a donor and an acceptor forming the donor–acceptor adduct, the overall “reorganization energy is defined as an energy term associated with rehybridization and rearrangement of the donor or acceptor to produce a geometry similar to that which it has in the adduct,”85 “… a lump sum of energy to be expended in order to prepare the molecule for adduct formation.”85 We relate “rehybridization” to electronic 71, 86–98 (changes in the electronic wave functions of the fragments), and “rearrangement” to structural 99–106 (changes in the geometries of the fragments) reorganization.…”

Molecular Routes to Two-Dimensional Metal Dichalcogenides MX2 (M = Mo, W; X = S, Se)

“…In comparison to graphene, transition metal disulfides of general formula MS 2 (M = transition metal, e.g., Mo, W) represent stable two-dimensional layered materials with unique physical properties that are interesting for optical, optoelectronic, and electronic − devices as well as for their technological importance in lubrication, , gas sensing, and biological − applications. The direct band gap of these monolayered materials is located in the visible light or near-infrared range, making them promising in efficient solar energy conversion , and water splitting reactions − and as semiconductor materials − in field-effect transistors. − For the growth of wafer-scale, high-quality TMDC thin films, atomic layer deposition (ALD) and chemical vapor deposition (CVD) are the methods of choice that require volatile and reactive precursors. ,− In this context, chalcogen–metal complexes offer several advantages over traditional metal precursors such as halides, oxides, and thiometallates mainly because of their high purity, solubility, and potential volatility .…”

“…In comparison to graphene, transition metal disulfides of general formula MS 2 (M = transition metal, e.g., Mo, W) represent stable two-dimensional layered materials with unique physical properties that are interesting for optical, 23 optoelectronic, 24 and electronic 25−27 devices as well as for their technological importance in lubrication, 28,29 gas sensing, 6 and biological 30−32 applications. The direct band gap of these monolayered materials is located in the visible light or nearinfrared range, making them promising in efficient solar energy conversion 33,34 and water splitting reactions 35−40 and as semiconductor materials 41−43 in field-effect transistors.…”

Vibrational Spectroscopic Study of Pyridine and Pyrimidine Ligands Coordinated With Antimony (Iii) Complexes: Insights From DFT Calculations

“…Sb-Cl vibrations were calculated 216, 233, 240, and 318 cm -1 for [1a], 226, 227, and 310 cm -1 for [2a] and 232, 240 and 319 cm -1 for [3a]. 280 cm -1 and 308 cm -1 for SbCl in the literature [39].…”