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Light Activated Release of Nitrile Ligands from trans -Ru(L)(PPh 3 ) 2 (nitrile) Complexes (2024)
Journal Article
Davidson, R. J., Hsu, Y.-T., Yufit, D. S., & Beeby, A. (2024). Light Activated Release of Nitrile Ligands from trans -Ru(L)(PPh 3 ) 2 (nitrile) Complexes. ACS Omega, 9(31), 34098-34105. https://doi.org/10.1021/acsomega.4c04917

A series of trans-RuL­(PPh3)2(nitrile) and {RuL­(PPh3)2}.2-μ-(nitrile)-based complexes [where L = 2,2′-(3,4-diphenyl-pyrrole-2,5-diyl)­dipyridine (dpp), di­(pyridin-2-yl)­isoindoline-1,3-diimine (bpi), or 4-(4-methoxyphenyl)-6-phenyl-2,2′-bipyridine... Read More about Light Activated Release of Nitrile Ligands from trans -Ru(L)(PPh 3 ) 2 (nitrile) Complexes.

Large area arrays of discrete single-molecule junctions derived from host-guest complexes. (2023)
Journal Article
Escorihuela, E., Del Barrio, J., Davidson, R. J., Beeby, A., Low, P. J., Prez-Murano, F., Cea, P., & Martin, S. (2024). Large area arrays of discrete single-molecule junctions derived from host-guest complexes. Nanoscale, 16(3), 1238-1246. https://doi.org/10.1039/d3nr05122f

The desire to continually reduce the lower limits of semiconductor integrated circuit (IC) fabrication methods continues to inspire interest in unimolecular electronics as a platform technology for the realization of future (opto)electronic devices.... Read More about Large area arrays of discrete single-molecule junctions derived from host-guest complexes..

Connectivity-Dependent Conductance of 2,2′-Bipyridine-Based Metal Complexes (2023)
Journal Article
Chelli, Y., Ferri, N., Vezzoli, A., Davidson, R. J., Morris, J., Nichols, R. J., …Beeby, A. (2023). Connectivity-Dependent Conductance of 2,2′-Bipyridine-Based Metal Complexes. ACS Omega, 8(51), 48958-48965. https://doi.org/10.1021/acsomega.3c06555

The present work provides an insight into the effect of connectivity isomerization of metal-2,2′-bipyridine complexes. For that purpose, two new 2,2′-bipyridine (bpy) ligand systems, 4,4′-bis­(4-(methylthio)­phenyl)-2,2′-bipyridine (Lmeta) and 5,5′-b... Read More about Connectivity-Dependent Conductance of 2,2′-Bipyridine-Based Metal Complexes.

Electronic Conductance and Thermopower of Cross-Conjugated and Skipped-Conjugated Molecules in Single-Molecule Junctions (2023)
Journal Article
Salthouse, R. J., Hurtado-Gallego, J., Grace, I. M., Davidson, R., Alshammari, O., Agraït, N., …Bryce, M. R. (2023). Electronic Conductance and Thermopower of Cross-Conjugated and Skipped-Conjugated Molecules in Single-Molecule Junctions. Journal of Physical Chemistry C, 127(28), 13751-13758. https://doi.org/10.1021/acs.jpcc.3c00742

We report a combined experimental and theoretical study of a series of thiomethyl (SMe) anchored cross-conjugated molecules featuring an acyclic central bridging ketone and their analogous skipped-conjugated alcohol derivatives. Studies of these mole... Read More about Electronic Conductance and Thermopower of Cross-Conjugated and Skipped-Conjugated Molecules in Single-Molecule Junctions.

Single-Molecule Junction Formation in Deep Eutectic Solvents with Highly Effective Gate Coupling (2023)
Journal Article
Qiao, X., Vezzoli, A., Smith, S., Higgins, S. J., Davidson, R. J., Beeby, A., & Nichols, R. J. (2023). Single-Molecule Junction Formation in Deep Eutectic Solvents with Highly Effective Gate Coupling. Journal of Physical Chemistry C, 127(26), 12802-12810. https://doi.org/10.1021/acs.jpcc.3c03129

The environment surrounding a molecular junction affects its charge-transport properties and, therefore, must be chosen with care. In the case of measurements in liquid media, the solvent must provide good solvation, grant junction stability, and, in... Read More about Single-Molecule Junction Formation in Deep Eutectic Solvents with Highly Effective Gate Coupling.

Tuning Emission Lifetimes of Ir(C^N)2(acac) Complexes with Oligo(phenyleneethynylene) Groups (2023)
Journal Article
Davidson, R., Hsu, Y., Fox, M. A., Aguilar, J. A., Yufit, D., & Beeby, A. (2023). Tuning Emission Lifetimes of Ir(C^N)2(acac) Complexes with Oligo(phenyleneethynylene) Groups. Inorganic Chemistry, 62(6), 2793-2805. https://doi.org/10.1021/acs.inorgchem.2c03934

Emissive compounds with long emission lifetimes (μs to ms) in the visible region are of interest for a range of applications, from oxygen sensing to cellular imaging. The emission behavior of Ir(ppy)2(acac) complexes (where ppy is the 2-phenylpyridyl... Read More about Tuning Emission Lifetimes of Ir(C^N)2(acac) Complexes with Oligo(phenyleneethynylene) Groups.

Divergent Approach for Tris-Heteroleptic Cyclometalated Iridium Complexes Using Triisopropylsilylethynyl-Substituted Synthons (2022)
Journal Article
Edkins, R. M., Hsu, Y.-T., Fox, M. A., Yufit, D., Beeby, A., & Davidson, R. J. (online). Divergent Approach for Tris-Heteroleptic Cyclometalated Iridium Complexes Using Triisopropylsilylethynyl-Substituted Synthons. Organometallics, https://doi.org/10.1021/acs.organomet.2c00292

Bis-heteroleptic cyclometalated iridium complexes of the form Ir(La)2(acac), where La is a substituted 2-phenylpyridine derivative and acac is an acetylacetonato ligand, are a useful class of luminescent organometallic complexes for a range of applic... Read More about Divergent Approach for Tris-Heteroleptic Cyclometalated Iridium Complexes Using Triisopropylsilylethynyl-Substituted Synthons.

Quantum interference dependence on molecular configurations for cross-conjugated systems in single-molecule junctions (2022)
Journal Article
Hurtado-Gallego, J., Davidson, R., Grace, I. M., Rincón-García, L., Batsanov, A. S., Bryce, M. R., …Agraït, N. (2022). Quantum interference dependence on molecular configurations for cross-conjugated systems in single-molecule junctions. Molecular Systems Design & Engineering, 7(10), 1287-1293. https://doi.org/10.1039/d2me00074a

We report a combined experimental and computational study of seven cross-conjugated enediyne derivatives functionalised with a pendant group (diphenyl, 9-fluorenyl, 9-thioxanthene or cyclohexyl) at the central alkene site, and with thiomethyl (SMe) o... Read More about Quantum interference dependence on molecular configurations for cross-conjugated systems in single-molecule junctions.

Thermoelectric Enhancement in Single Organic Radical Molecules (2022)
Journal Article
Hurtado-Gallego, J., Sangtarash, S., Davidson, R., Rincón-García, L., Daaoub, A., Rubio-Bollinger, G., …Sadeghi, H. (2022). Thermoelectric Enhancement in Single Organic Radical Molecules. Nano Letters, 22(3), https://doi.org/10.1021/acs.nanolett.1c03698

Organic thermoelectric materials have potential for wearable heating, cooling, and energy generation devices at room temperature. For this to be technologically viable, high-conductance (G) and high-Seebeck-coefficient (S) materials are needed. For m... Read More about Thermoelectric Enhancement in Single Organic Radical Molecules.

Turning the Tap: Conformational Control of Quantum Interference to Modulate Single Molecule Conductance (2019)
Journal Article
Jiang, F., Trupp, D., Algethami, N., Zheng, H., He, W., Alqorashi, A., …Lambert, C. (2019). Turning the Tap: Conformational Control of Quantum Interference to Modulate Single Molecule Conductance. Angewandte Chemie, 58(52), 18987-18993. https://doi.org/10.1002/anie.201909461

Together with the more intuitive and commonly recognized conductance mechanisms of charge‐hopping and tunneling, quantum interference (QI) phenomena have been identified as important factors affecting charge transport through molecules. Consequently,... Read More about Turning the Tap: Conformational Control of Quantum Interference to Modulate Single Molecule Conductance.

Highly Linearized Twisted Iridium(III) Complexes (2018)
Journal Article
Davidson, R., Hsu, Y., Griffiths, G. C., Li, C., Yufit, D., Pal, R., & Beeby, A. (2018). Highly Linearized Twisted Iridium(III) Complexes. Inorganic Chemistry, 57(22), 14450-14462. https://doi.org/10.1021/acs.inorgchem.8b02818

Sonogashira coupling with alkyne iridium(phenylpyridine)2(acetylacetone) synthons is used to produce highly linearized twisted iridium(III) complexes with lengths of up to 5 nm. These complexes were mechanically aligned in a polymer matrix, showing a... Read More about Highly Linearized Twisted Iridium(III) Complexes.

Conductance of ‘bare-bones’ tripodal molecular wires (2018)
Journal Article
Davidson, R. J., Milan, D. C., Al-Owaedi, O. A., Ismael, A. K., Nichols, R. J., Higgins, S. J., …Beeby, A. (2018). Conductance of ‘bare-bones’ tripodal molecular wires. RSC Advances, 8(42), 23585-23590. https://doi.org/10.1039/c8ra01257a

Controlling the orientation of molecular conductors on the electrode surfaces is a critical factor in the development of single-molecule conductors. In the current study, we used the scanning tunnelling microscopy-based break junction (STM-BJ) techni... Read More about Conductance of ‘bare-bones’ tripodal molecular wires.

Exploring the Chemistry and Photophysics of Substituted Picolinates Positional Isomers in Iridium(III) Bisphenylpyridine Complexes (2017)
Journal Article
Davidson, R., Hsu, Y., Bhagani, C., Yufit, D., & Beeby, A. (2017). Exploring the Chemistry and Photophysics of Substituted Picolinates Positional Isomers in Iridium(III) Bisphenylpyridine Complexes. Organometallics, 36(15), 2727-2735. https://doi.org/10.1021/acs.organomet.7b00179

A simple and versatile route for modifying picolinate ligands coordinated to iridium is described. Reacting a μ-chloro iridium(C∧N) dimer (where C∧N is a phenylpyridine-based ligand) with bromopicolinic acid (HpicBr) yields the corresponding iridium(... Read More about Exploring the Chemistry and Photophysics of Substituted Picolinates Positional Isomers in Iridium(III) Bisphenylpyridine Complexes.

The use of organolithium reagents for the synthesis of 4-aryl-2-phenylpyridines and their corresponding iridium(III)complexes (2016)
Journal Article
Davidson, R., Hsu, Y., Batchelor, T., Yufit, D., & Beeby, A. (2016). The use of organolithium reagents for the synthesis of 4-aryl-2-phenylpyridines and their corresponding iridium(III)complexes. Dalton Transactions, 45(28), 11496-11507. https://doi.org/10.1039/c6dt01461e

A versatile palladium-free route for the synthesis of 4-aryl-substituted phenylpyridines (ppy), starting from tert-butyl 4-oxopiperidine-1-carboxylate, is reported. Reaction with an aryllithium, followed by trifluoroacetic acid dehydration/deprotecti... Read More about The use of organolithium reagents for the synthesis of 4-aryl-2-phenylpyridines and their corresponding iridium(III)complexes.

Single-Molecule Conductance of Viologen–Cucurbit[8]uril Host–Guest Complexes (2016)
Journal Article
Zhang, W., Gan, S., Vezzoli, A., Davidson, R., Milan, D., Luzyanin, K., …Niu, L. (2016). Single-Molecule Conductance of Viologen–Cucurbit[8]uril Host–Guest Complexes. ACS Nano, 10(5), 5212-5220. https://doi.org/10.1021/acsnano.6b00786

The local molecular environment is a critical factor which should be taken into account when measuring single-molecule electrical properties in condensed media or in the design of future molecular electronic or single molecule sensing devices. Supram... Read More about Single-Molecule Conductance of Viologen–Cucurbit[8]uril Host–Guest Complexes.

Effects of Electrode–Molecule Binding and Junction Geometry on the Single-Molecule Conductance of bis-2,2′:6′,2″-Terpyridine-based Complexes (2016)
Journal Article
Davidson, R., Al-Owaedi, O. A., Milan, D. C., Zeng, Q., Tory, J., Hartl, F., …Low, P. J. (2016). Effects of Electrode–Molecule Binding and Junction Geometry on the Single-Molecule Conductance of bis-2,2′:6′,2″-Terpyridine-based Complexes. Inorganic Chemistry, 55(6), 2691-2700. https://doi.org/10.1021/acs.inorgchem.5b02094