Experimental and Computational Studies of the Single-Molecule Conductance of Ru(II) and Pt(II) trans-Bis(acetylide) Complexes

Abstract

The single-molecule conductance of metal complexes of the general forms trans-Ru(CCArC CY) 2 (dppe) 2 and trans-Pt(CCArCCY) 2 (PPh 3 ) 2 (Ar = 1,4-C 6 H 2 -2,5-(OC 6 H 13 ) 2 ; Y = 4-C 5 H 4 N, 4-C 6 H 4 SMe) have been determined using the STM I(s) technique. The complexes display high conductance (Y = 4-C 5 H 4 N, M = Ru (0.4 ± 0.18 nS), Pt (0.8 ± 0.5 nS); Y = 4-C 6 H 5 SMe, M = Ru (1.4 ± 0.4 nS), Pt (1.8 ± 0.6 nS)) for molecular structures of ca. 3 nm in length, which has been attributed to transport processes arising from tunneling through the tails of LUMO states.

Redox-driven porphyrin based systems for new luminescent molecular switches

“…Indeed, group 8 metal acetylide complexes displaying strong ligand-mediated electronic effects are attractive redox-switchable building blocks for the realization of functional materials. [32][33][34][35][36][37][38][39][40][41][42][43][44][45][46][47] This is the direct consequence of the ligand character of the highest occupied molecular orbital (HOMO) resulting from the overlap of a metal d() and an appropriate -orbital of the carbonrich ligand. [48][49][50][51][52] In particular, with ruthenium complexes of the type [ClRu(dppe)2(-CC-Aryl)]…”

Constructive Quantum Interference in Single‐Molecule Benzodichalcogenophene Junctions

“…Ak ey factor governing the conductance of am olecular junctioni st he position of the Fermi level of am etal electrode withr espect to the molecular HOMO and LUMO levels.I nt urn, this energy alignment is sensitive to the chemical nature of the contacting groups,w hich bind the molecule to the electrode, and also the precise configuration of the metal electrode-molecule contact. [37][38][39][40][41][42] To determine E F ,t he predicted conductance values of all molecules were compared with the experimental values and as ingle common value of E F was chosen, which gave the closesto verall agreement. This yieldedavalue of E F ÀE takes place through non-resonant tunneling.…”

Ferrocene‐ and Biferrocene‐Containing Macrocycles towards Single‐Molecule Electronics

“…Communication between redox‐active centers is highly studied, with the identification of useful bridging ligands, binding groups, and suitable redox‐active components, furthermore establishing a solid understanding in redox center communication and electronic coupling in mixed valence states . Multiple redox‐active groups within molecular wires show interesting results in conductance modulation . Currently, little research has been pointed towards redox‐active groups in parallel or in rings within electronic systems .…”