Single-cluster electronics

Abstract

This article reviews the scope of inorganic cluster compounds measured in single-molecule junctions. The article explores how the structure and bonding of inorganic clusters give rise to specific quantum transport phenomena in molecular junctions.

Site‐Selective Functionalization of Sila‐Adamantane and Its Ensuing Optical Effects

“…Efforts are currently underway in our laboratory to use our site‐selective functionalization strategies to probe single‐molecule conductance in sila‐adamantane‐based molecular junctions. Based on the ordering of symmetric and anti‐symmetric frontier MOs in the present DFT study, we anticipate that electronic transport in sila‐adamantane junctions will be sensitive to destructive σ‐quantum interference effects [29, 30, 74–76] …”

“…Based on the ordering of symmetric and antisymmetric frontier MOs in the present DFT study, we anticipate that electronic transport in sila-adamantane junctions will be sensitive to destructive σ-quantum interference effects. [29,30,[74][75][76]…”

“…In the same fashion that the regioselective functionalization of the organic adamantane [14][15][16][17] led to its subsequent use in therapeutics, [18] biological imaging probes, [19,20] ligands, [21,22] and materials, [23,24] the synthesis of functionalized silaadamantanes would dramatically advance the utility of silicon diamondoids. Indeed, approaches for the site-selective functionalization of related saturated, [25][26][27][28][29][30][31][32] unsaturated, [33][34][35] and Zintl ion [36][37][38][39] silicon clusters have led to the discovery of new properties and applications.…”

Control of molecular conductance by pH

“…For example, calculations have shown that HOMO and HOMO−1 inversions were associated with the appearance of destructive quantum interference in permethylated oligosilanes, which occurred when the dihedral angles of the internal Si–Si–Si–Si was varied from 90° to 0°. 11 Next, transmission calculations of M3 connected to two 1D leads were carried out where site energy for nitrogen was decreased from 0 to −0.3, and the calculations revealed that the anti-resonance character of the destructive quantum interference disappeared at ε p = −0.225 or lower values (Fig. 4d).…”

“…4,5 Another commonly used method for measuring single-molecule conductance is the mechanically controlled break junction (MCBJ) technique that provides benefits such as enhanced mechanical stability. 6,7 In the past decade, we have seen a growing number of organic, 8 organometallic, 9,10 inorganic cluster, 11 peptide, 12,13 and DNA 14,15 molecules being investigated for relating their single-molecule electronic properties to their structures.…”