Electron transfer pathways in mixed-valence paracyclophane-bridged bis-triarylamine radical cations

Autor: Christoph Lambert, Kolja Theilacker, Simon Gückel, Martin Kaupp, Sascha Klawohn, Manuel Renz, Matthias Parthey

Publikováno v: Journal of Computational Chemistry. 37:93-102

A series of paracyclophane (PC) bridged mixed-valence (MV) bis-triarylamine radical cations with different ([2.2], [3.3], [4.4]) linkers, with and without additional ethynyl spacers, have been studied by quantum-chemical calculations (BLYP35-D3/TZVP/

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8739ec0cb0a81150d226bbe26aeaac15
https://doi.org/10.1002/jcc.24038

Combined Spectroscopic and Quantum Chemical Study of [trans-Ru(C≡CC6H4R1-4)2(dppe)2]n+ and [trans-Ru(C≡CC6H4R1-4)(C≡CC6H4R2-4)(dppe)2]n+ (n = 0, 1) Complexes: Interpretations beyond the Lowest Energy Conformer Paradigm

Autor: Paul J. Low, Santiago Marqués-González, Martin Kaupp, Judith A. K. Howard, Dmitry S. Yufit, Matthias Parthey

Publikováno v: Organometallics. 33:4947-4963

The reaction of trans-RuCl(C≡CC6H4R1-4)(dppe)2 (2: R1 = Me (a), C5H11 (b), OMe (c), CO2Me (d), NO2 (e), C≡CSiMe3 (f), C≡CBut (g), NH2 (h)), prepared in situ from reactions of [RuCl(dppe)2]OTf ([1]OTf) with terminal alkynes in CH2Cl2 solutions c

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https://doi.org/10.1021/om500265s

Quantum-chemical insights into mixed-valence systems: within and beyond the Robin–Day scheme

Autor: Martin Kaupp, Matthias Parthey

Publikováno v: Chem. Soc. Rev.. 43:5067-5088

In mixed-valence (MV) systems essentially identical, more or less electronically coupled, redox centres are brought into formally different oxidation states by removal or addition of an electron. Depending on the strength of electronic coupling, an e

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0ac4314cb80183b680197d2222408753
https://doi.org/10.1039/c3cs60481k

Mixed-valence ruthenium complexes rotating through a conformational Robin–Day continuum

Autor: Martin Kaupp, Paul J. Low, Mark A. Fox, Matthias Parthey, Josef B. G. Gluyas

Publikováno v: Chemistry : a European journal, 2014, Vol.20(23), pp.6895-6908 [Peer Reviewed Journal]

The conformational energy landscape and the associated electronic structure and spectroscopic properties (UV/Vis/near-infrared (NIR) and IR) of three formally d(5)/d(6) mixed-valence diruthenium complex cations, [{Ru(dppe)Cp*}2(μ-C≡CC6H4C≡C)](+)

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http://dro.dur.ac.uk/12537/1/12537.pdf

The preparation, characterisation and electronic structures of 2,4-pentadiynylnitrile (cyanobutadiynyl) complexes

Autor: Jean-François Halet, Boris Le Guennic, Paul J. Low, Martin Kaupp, Matthias Parthey, Judith A. K. Howard, Sören Bock, Samantha G. Eaves, Dmitry S. Yufit

Publikováno v: Dalton Transactions
Dalton Transactions, Royal Society of Chemistry, 2013, 42, pp.4240-4243. ⟨10.1039/C3DT33052D⟩
Dalton transactions, 2013, Vol.42(12), pp.4240-4243 [Peer Reviewed Journal]
Dalton Transactions, 2013, 42, pp.4240-4243. ⟨10.1039/C3DT33052D⟩

Dieser Beitrag ist mit Zustimmung des Rechteinhabers aufgrund einer (DFG geförderten) Allianz- bzw. Nationallizenz frei zugänglich. This publication is with permission of the rights owner freely accessible due to an Alliance licence and a national

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https://pubmed.ncbi.nlm.nih.gov/23396403