Electronic Coupling in a Bis-Cyclometalated Ruthenium Complex Bridged by 3,3′,5,5′-Tetrakis(1H-1,2,3-triazol-4-yl)biphenyl

2012 ◽  
Vol 31 (3) ◽  
pp. 1035-1041 ◽  
Author(s):  
Wen-Wen Yang ◽  
Jiannian Yao ◽  
Yu-Wu Zhong
Keyword(s):  
Ruthenium Complex ◽  
Electronic Coupling

Chemical Control of Electronic Coupling between a Ruthenium Complex and Gold Electrode for Resonant Tunneling Conduction

2019 ◽  
Vol 11 (27) ◽  
pp. 24331-24338 ◽  
Author(s):  
Yoichi Otsuka ◽  
Satoshi Nishijima ◽  
Leo Sakamoto ◽  
Kentaro Kajimoto ◽  
Kento Araki ◽  
...  
Keyword(s):  
Chemical Control ◽  
Resonant Tunneling ◽  
Gold Electrode ◽  
Ruthenium Complex ◽  
Electronic Coupling ◽  
Tunneling Conduction

A computational study of a cyano-bridged dinuclear ruthenium complex containing the non-innocent methylpyrazinium ligand

2004 ◽  
Vol 82 (6) ◽  
pp. 1102-1111 ◽  
Author(s):  
A BP Lever
Keyword(s):  
Density Functional ◽  
Ruthenium Complex ◽  
Computational Study ◽  
Electronic Coupling ◽  
Functional Theory ◽  
Electronic Interactions ◽  
Ligand Charge Transfer ◽  
Charge Transfer Transitions ◽  
Dinuclear Ruthenium ◽  
S Model

The properties of a series of complexes trans-[LRu(NH3)4-NC-Ru(NH3)4(methylpyrazinium)]n+ where L is an anion (Cl–, F–, CN–, OH–) or neutral ligand (CO, H2O, pyridine, CH3NO2) were analyzed using density functional theory. The objective was to probe the change in electronic coupling between the two ruthenium atoms and between ruthenium and the non-innocent methylpyrazinium ligand as L is varied. Molecular orbital coefficients and optical spectra were derived. The electronic interactions involved are seen to be quite sensitive to the charge on the ruthenium to which the ligand L is attached as L is varied. Exchange (K) and Coulomb (J) energies are also calculated, using the INDO/S model, for the various metal-to-ligand charge-transfer transitions. K correlates well with the energy and intensity of the transitions and specifically with the variation in delocalization induced by variation of L.Key words: DFT, ruthenium, non-innocent ligand, methylpyrazinium, ZINDO.

Ruthenium Complex as Enzyme Modulator: Modulation of Lactate Dehydrogenase by a Novel Ruthenium(II) Complex Containing 4-Carboxy N-Ethylbenzamide as a Ligand

2007 ◽  
Vol 3 (3) ◽  
pp. 243-253 ◽  
Author(s):  
Surendra K. Trigun ◽  
Raj K. Koiri ◽  
Lallan Mishra ◽  
Santosh K. Dubey ◽  
Santosh Singh
Keyword(s):  
Lactate Dehydrogenase ◽  
Ruthenium Complex

scholarly journals Thermochromic aggregation-induced dual phosphorescence via temperature-dependent sp3-linked donor-acceptor electronic coupling

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Tao Wang ◽  
Zhubin Hu ◽  
Xiancheng Nie ◽  
Linkun Huang ◽  
Miao Hui ◽  
...  
Keyword(s):  
Excited State ◽  
Room Temperature ◽  
Electronic Coupling ◽  
Temperature Dependent ◽  
Molecular Systems ◽  
Donor And Acceptor ◽  
Theoretical Investigations ◽  
Donor Acceptor ◽  
And Control ◽  
Two Temperature

AbstractAggregation-induced emission (AIE) has proven to be a viable strategy to achieve highly efficient room temperature phosphorescence (RTP) in bulk by restricting molecular motions. Here, we show that by utilizing triphenylamine (TPA) as an electronic donor that connects to an acceptor via an sp3 linker, six TPA-based AIE-active RTP luminophores were obtained. Distinct dual phosphorescence bands emitting from largely localized donor and acceptor triplet emitting states could be recorded at lowered temperatures; at room temperature, only a merged RTP band is present. Theoretical investigations reveal that the two temperature-dependent phosphorescence bands both originate from local/global minima from the lowest triplet excited state (T1). The reported molecular construct serves as an intermediary case between a fully conjugated donor-acceptor system and a donor/acceptor binary mix, which may provide important clues on the design and control of high-freedom molecular systems with complex excited-state dynamics.

scholarly journals Two-photon, visible light water splitting at a molecular ruthenium complex

2021 ◽  
Author(s):  
Jacob Schneidewind ◽  
Miguel A. Argüello Cordero ◽  
Henrik Junge ◽  
Stefan Lochbrunner ◽  
Matthias Beller
Keyword(s):  
Visible Light ◽  
Water Splitting ◽  
Ruthenium Complex ◽  
Visible Region ◽  
Light Water ◽  
Two Photon

A new mechanism for light-driven water splitting is described, which decreases the reaction's complexity and offers a new way to extend the range of usable wavelengths far into the visible region.

scholarly journals Ruthenium-based PACT agents based on bisquinoline chelates: synthesis, photochemistry, and cytotoxicity

2021 ◽  
Author(s):  
Anja Busemann ◽  
Ingrid Flaspohler ◽  
Xue-Quan Zhou ◽  
Claudia Schmidt ◽  
Sina K. Goetzfried ◽  
...  
Keyword(s):  
Quantum Yield ◽  
Singlet Oxygen ◽  
Cancer Cells ◽  
Cellular Uptake ◽  
Ruthenium Complex ◽  
Human Cancer ◽  
Light Irradiation ◽  
Quantum Yields ◽  
Light Activation ◽  
Human Cancer Cells

AbstractThe known ruthenium complex [Ru(tpy)(bpy)(Hmte)](PF6)2 ([1](PF6)2, where tpy = 2,2’:6’,2″-terpyridine, bpy = 2,2’-bipyridine, Hmte = 2-(methylthio)ethanol) is photosubstitutionally active but non-toxic to cancer cells even upon light irradiation. In this work, the two analogs complexes [Ru(tpy)(NN)(Hmte)](PF6)2, where NN = 3,3'-biisoquinoline (i-biq, [2](PF6)2) and di(isoquinolin-3-yl)amine (i-Hdiqa, [3](PF6)2), were synthesized and their photochemistry and phototoxicity evaluated to assess their suitability as photoactivated chemotherapy (PACT) agents. The increase of the aromatic surface of [2](PF6)2 and [3](PF6)2, compared to [1](PF6)2, leads to higher lipophilicity and higher cellular uptake for the former complexes. Such improved uptake is directly correlated to the cytotoxicity of these compounds in the dark: while [2](PF6)2 and [3](PF6)2 showed low EC50 values in human cancer cells, [1](PF6)2 is not cytotoxic due to poor cellular uptake. While stable in the dark, all complexes substituted the protecting thioether ligand upon light irradiation (520 nm), with the highest photosubstitution quantum yield found for [3](PF6)2 (Φ[3] = 0.070). Compounds [2](PF6)2 and [3](PF6)2 were found both more cytotoxic after light activation than in the dark, with a photo index of 4. Considering the very low singlet oxygen quantum yields of these compounds, and the lack of cytotoxicity of the photoreleased Hmte thioether ligand, it can be concluded that the toxicity observed after light activation is due to the photoreleased aqua complexes [Ru(tpy)(NN)(OH2)]2+, and thus that [2](PF6)2 and [3](PF6)2 are promising PACT candidates. Graphic abstract

Permanent Dipole Moments Enhance Electronic Coupling and Singlet Fission in Pentacene

2021 ◽  
pp. 7453-7458
Author(s):  
Clemens Zeiser ◽  
Luca Moretti ◽  
Thomas Geiger ◽  
Lukas Kalix ◽  
Ana M. Valencia ◽  
...  
Keyword(s):  
Dipole Moments ◽  
Electronic Coupling ◽  
Singlet Fission

Tuning p-Si(111) Photovoltage via Molecule|Semiconductor Electronic Coupling

2021 ◽  
Vol 143 (6) ◽  
pp. 2567-2580
Author(s):  
Dylan G. Boucher ◽  
Kara Kearney ◽  
Elif Ertekin ◽  
Michael J. Rose
Keyword(s):  
Electronic Coupling ◽  
Semiconductor Electronic
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