Enhancing single-molecule conductance of platinum(II) complexes through synergistic aromaticity-assisted structural asymmetry

Duan, Ping; Liu, Junyang; Wang, Jin-Yun; Qu, Kai; Cai, Shuning; Wang, Fei; Chen, Li-Chuan; Huang, Xiaoyan; Li, Ruihao; Shi, Jia; Zhang, Qian‐Chong; Hong, Wenjing; Chen, Xiaoming

doi:10.1007/s11426-019-9692-3

Cited by 10 publications

(19 citation statements)

References 42 publications

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“…The behavior of square-planar platinum complexes trans -[Pt(CCR) 2 (PR′ 3 ) 2 ] within molecular junctions has also attracted interest. Initially proposed as molecular insulators, the wire-like properties of these systems have been gradually exposed. ,,,,, The platinum complexes 6a (38%) and 6b (46%) were prepared by conventional CuI-catalyzed reactions of [PtCl 2 (PEt 3 ) 2 ] with 1a and 1b , respectively (Scheme ).…”

Section: Resultssupporting

confidence: 53%

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Synthesis, Structure and Physical Properties of “Wire-like” Metal Complexes

et al. 2020

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The syntheses and crystallographically determined structures of metal complexes trans-[M(CCR)2L n ] (ML n = Ru(dppe)2, Ru{P(OEt)3}4, Pt(PEt3)2) featuring acetylide ligands further functionalized by aryl thioether groups are reported, together with those of analogous organic buta-1,3-diyne (RCCCCR) and 1,4-diethynylbenzene (RCCC6H4CCR) compounds for comparative purposes. The terminal thioether functional groups have an affinity for binding to the surface of gold electrodes and are considered as “anchor” groups in the design of molecules for study within metal|molecule|metal molecular junctions. The influence of the Lewis acidic and π-basic thioether moiety on a number of physical properties important to the electrical behavior of molecules within molecular junctions has been explored using spectroscopic, electrochemical, and quantum chemical methods. The thioether functional group serves as a moderately strong π-electron-donating substituent, similar in electronic character to the OMe group, resulting in relatively high lying HOMOs that are delocalized over the length of the molecule and well-suited to promote coherent tunneling within the junction. In addition, the facile oxidation processes and the relatively small reorganization energies associated with the one-electron oxidation of these compounds indicate the potential for effective hopping mechanisms of charge transport through longer structures based on these organometallic motifs.

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Section: Resultssupporting

confidence: 53%

“…Initially proposed as molecular insulators, 74 the wire-like properties of these systems have been gradually exposed. 11,62,63,72,75,76 The platinum complexes 6a (38%) 77 and 6b (46%) were prepared by conventional CuI-catalyzed reactions of [PtCl 2 (PEt 3 ) 2 ] with 1a and 1b, respectively (Scheme 2).…”

Section: ■ Introductionmentioning

confidence: 99%

Synthesis, Structure and Physical Properties of “Wire-like” Metal Complexes

et al. 2020

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“…19 To investigate the conductance influenced by the conformational flipping, the transmission coefficient, molecular energy spectrum, as well as the molecular projected self-consistent Hamiltonian (MPSH) plot were computed by Atomistix Toolkit (ATK). 14,15 For molecules 1−3 (Figure 1a), the rotation simulation starts from syn-conformation (1-syn, 2-syn, and 3-syn) with the angle of 0°between the two naphthyl rings. Upon the two naphthyl rings rotating to the angle of 180°, it turns to anticonformation (1-anti, 2-anti, and 3-anti).…”

Section: ■ Results and Discussionmentioning

confidence: 99%

“…The development of molecular electronics boosts the maturation of the equipment for single-molecule measurement. The techniques represented by graphene–molecule–graphene single-molecule junction (GMG-SMJ), mechanical controllable break junction (MCBJ), − and scanning tunneling microscopy break junction (STM-BJ) − are available to catch a single molecule and automatically assemble it into molecular junction. The conductance of the picked molecule, which is highly related to the molecular structure and precisely characterized by STM, promptly reflects the structure character. − Thus, single-molecule conductance is a promising candidate to explore the internal dynamics of a single molecular machine, by which the shuttling dynamics of a pseudorotaxane have been successfully observed .…”

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confidence: 99%

Capturing the Rotation of One Molecular Crank by Single-Molecule Conductance

Duan

Wang

et al. 2021

Nano Lett.

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Unveiling the internal dynamics of rotation in molecular machine at single-molecule scale is still a challenge. In this work, three crank-shaped molecules are elaborately designed with the conformational flipping between syn and anti fulfilled by two naphthyl groups rotating freely along 1,3-butadiynyl axis. By investigating the single-molecule conductance using scanning tunnelling microscope break junction (STM-BJ) technique and theoretical simulation, the internal rotation of these crank-shaped molecules is well identified through low and high conductance corresponding to syn-and anti-conformations. As demonstrated by theoretically computational study, the orbital energy changes with the conformational flipping and influences the intraorbital quantum interference, thus eventually modulating the single-molecule conductance. This work demonstrates single-molecule conductance measurement to be a rational approach for characterizing the internal rotation of molecular machines.

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“…Similar molecules with alkynyl spacers within the backbone exhibit similar conductance data in MCBJ or STM-BJ experiments in previous work. 39,45 This is because the electrode coupling has little influence on the molecular backbone. We thus confirmed that the present method of soft contact to measure the assembled molecules in the air was reliable.…”

Section: Methodsmentioning

confidence: 99%