Royal Society of Chemistry

The effect of thermal motion on the electron localization in metal-to-ligand charge transfer excitations in [Fe(bpy)3]2+

Dalton Transactions - 18 November, 2014 - 02:54

Dalton Trans., 2014, 43,17838-17846
DOI: 10.1039/C4DT02294G, PaperAlex Domingo, Carmen Sousa, Coen de Graaf
Accurate electronic structure calculations of the lowest excited states have been performed on twenty snapshots of a molecular dynamics simulation of [Fe(bpy)3]2+ dissolved in water.
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Spectroscopic effects resulting from interacting singlet and triplet excited states: vibronic structure involving the O-H stretching mode in d-d absorption bands of Ni(H2O)62+

Dalton Transactions - 18 November, 2014 - 02:54

Dalton Trans., 2014, 43,17864-17870
DOI: 10.1039/C4DT01979B, PaperChristopher Dobe, Emmanuel Gonzalez, Philip L. W. Tregenna-Piggott, Christian Reber
Spin-orbit coupling between metal-centered electronic states can lead to absorption spectra with vibronic structure involving ligand-centered vibrational modes, as theoretically analyzed for Ni(H2O)62+.
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Temperature dependent iodide oxidation by MLCT excited states

Dalton Transactions - 18 November, 2014 - 02:54

Dalton Trans., 2014, 43,17856-17863
DOI: 10.1039/C4DT01683A, PaperAtefeh Taheri, Gerald J. Meyer
Temperature dependent excited state iodide oxidation by two heteroleptic Ru polypyridyl compounds was quantified for the first time.
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Ultrafast spectroscopy and structural characterization of a photochromic isomerizing ruthenium bis-sulfoxide complex

Dalton Transactions - 18 November, 2014 - 02:54

Dalton Trans., 2014, 43,17847-17855
DOI: 10.1039/C4DT01402B, PaperAlbert W. King, Jason P. Malizia, James T. Engle, Christopher J. Ziegler, Jeffrey J. Rack
Irradiation of [Ru(bpy)2(bpSOp)](PF6)2 (where bpy is 2,2[prime or minute]-bipyridine and bpSOp is 1,3-bis(phenylsulfinyl)propane) results in the formation of two new isomers, namely the S,O- and O,O-bonded species.
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A novel aspect of spectroscopy for porphyrinic compounds under magnetic fields

Dalton Transactions - 18 November, 2014 - 02:54

Dalton Trans., 2014, 43,17596-17605
DOI: 10.1039/C4DT01428F, PerspectiveYanyan Mulyana, Kazuyuki Ishii
This perspective offers an overview of the recent studies on the Kerr effects, time-resolved electron paramagnetic resonance (TREPR) and magneto-chiral dichroism (MChD) of a range of porphyrinic compounds.
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A strong steric hindrance effect on ground state, excited state, and charge separated state properties of a CuI-diimine complex captured by X-ray transient absorption spectroscopy

Dalton Transactions - 18 November, 2014 - 02:54

Dalton Trans., 2014, 43,17615-17623
DOI: 10.1039/C4DT02046D, PaperJ. Huang, M. W. Mara, A. B. Stickrath, O. Kokhan, M. R. Harpham, K. Haldrup, M. L. Shelby, X. Zhang, R. Ruppert, J.-P. Sauvage, L. X. Chen
Steady-state and transient structures of a copper diimine dye sensitizer on TiO2 nanoparticles undergoing photoinduced interfacial electron transfer are determined.
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Ultrafast photophysical processes for Fe(III)-carboxylates

Dalton Transactions - 18 November, 2014 - 02:54

Dalton Trans., 2014, 43,17590-17595
DOI: 10.1039/C4DT01419G, PerspectiveIvan P. Pozdnyakov, Alexey A. Melnikov, Nikolai Tkachenko, Sergey V. Chekalin, Helge Lemmetyinen, Victor F. Plyusnin
Recent works devoted to the investigation of ultrafast processes for several environmentally important Fe(III) carboxylates were observed and discussed.
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Synthesis and photoinduced electron transfer in platinum(II) bis(N-(4-ethynylphenyl)carbazole)bipyridine fullerene complexes

Dalton Transactions - 18 November, 2014 - 02:54

Dalton Trans., 2014, 43,17624-17634
DOI: 10.1039/C4DT01397B, PaperSai-Ho Lee, Chris Tsz-Leung Chan, Keith Man-Chung Wong, Wai Han Lam, Wai-Ming Kwok, Vivian Wing-Wah Yam
Photoinduced electron transfer reactions in platinum(II) donor-chromophore-acceptor triads were investigated in detail by transient absorption spectroscopy.
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Photophysics and non-linear absorption of Au(I) and Pt(II) acetylide complexes of a thienyl-carbazole chromophore

Dalton Transactions - 18 November, 2014 - 02:54

Dalton Trans., 2014, 43,17721-17728
DOI: 10.1039/C4DT02123A, PaperSubhadip Goswami, Geoffrey Wicks, Aleksander Rebane, Kirk S. Schanze
Carbazole oligomers with Pt(II)- and Au(I)-acetylide end units exhibit non-linear absorption due to instantaneous two-photon absorption combined with triplet-triplet absorption.
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A little spin on the side: solvent and temperature dependent paramagnetism in [RuII(bpy)2(phendione)]2+

Dalton Transactions - 18 November, 2014 - 02:54

Dalton Trans., 2014, 43,17729-17739
DOI: 10.1039/C4DT01868K, PaperRobert D. Schmidt, Caleb A. Kent, Javier J. Concepcion, Wenbin Lin, Thomas J. Meyer, Malcolm D. E. Forbes
Magnetometry, 1H-NMR, EPR and substituent effects are used to explain solvent and temperature dependent paramagnetism in [RuII(bpy)2(phendione)](PF6)2.
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Accurate yet feasible computations of resonance Raman spectra for metal complexes in solution: [Ru(bpy)3]2+ as a case study

Dalton Transactions - 18 November, 2014 - 02:54

Dalton Trans., 2014, 43,17610-17614
DOI: 10.1039/C4DT02151G, CommunicationAlberto Baiardi, Camille Latouche, Julien Bloino, Vincenzo Barone
Herein we present a new and promising approach for the high-resolution modeling of vibrational resonance Raman spectra of metal complexes in solution.
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Modified bibenzimidazole ligands as spectator ligands in photoactive molecular functional Ru-polypyridine units? Implications from spectroscopy

Dalton Transactions - 18 November, 2014 - 02:54

Dalton Trans., 2014, 43,17659-17665
DOI: 10.1039/C4DT01399A, PaperJulia Meyer-Ilse, Stefan Bauroth, Maximilian Brautigam, Michael Schmitt, Jurgen Popp, Rainer Beckert, Nils Rockstroh, T. David Pilz, Katharina Monczak, Frank W. Heinemann, Sven Rau, Benjamin Dietzek
The contribution of different protected bibenzimidazole ligands to the excited state in Ru-complexes has been evidenced using theory-aided resonance-Raman spectroscopy.
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Isomerization initiated by photoinduced ligand dissociation in Ru(II) complexes with the ligand 2-p-tolylpyridinecarboxaldimine

Dalton Transactions - 18 November, 2014 - 02:54

Dalton Trans., 2014, 43,17828-17837
DOI: 10.1039/C4DT02016B, PaperBryan A. Albani, Christopher B. Durr, Bruno Pena, Kim R. Dunbar, Claudia Turro
The photoinduced ligand exchange and isomerization of ruthenium(II) complexes proceed via a common intermediate for all isomers.
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Study of picosecond processes of an intercalated dipyridophenazine Cr(III) complex bound to defined sequence DNAs using transient absorption and time-resolved infrared methods

Dalton Transactions - 18 November, 2014 - 02:54

Dalton Trans., 2014, 43,17606-17609
DOI: 10.1039/C4DT01989J, CommunicationStephen J. Devereux, Paraic M. Keane, Suni Vasudevan, Igor V. Sazanovich, Michael Towrie, Qian Cao, Xue-Zhong Sun, Michael W. George, Christine J. Cardin, Noel A. P. Kane-Maguire, John M. Kelly, Susan J. Quinn
Excited-state quenching of DNA intercalated [Cr(phen)2(dppz)]3+ by guanine proceeds by rapid forward and back electron transfer of <3 ps.
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Picosecond time-resolved infrared spectroscopy of rhodium and iridium azides

Dalton Transactions - 18 November, 2014 - 02:54

Dalton Trans., 2014, 43,17694-17702
DOI: 10.1039/C4DT02097A, PaperPeter Portius, Anthony J. H. M. Meijer, Michael Towrie, Benjamin F. Crozier, Ingrid Schiager
Ultrafast photochemical processes induced in the transition metal azido complexes Rh(Cp*)(N3)2(PPh3) and Ir(Cp*)(N3)2(PPh3) upon laser excitation at 266 nm and 400 nm were elucidated by picosecond time-resolved infrared spectroscopy and density functional theory.
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Femtosecond spectroscopy and TD-DFT calculations of CuCl42- excited states

Dalton Transactions - 18 November, 2014 - 02:54

Dalton Trans., 2014, 43,17820-17827
DOI: 10.1039/C4DT01409J, PaperElena N. Golubeva, Ekaterina M. Zubanova, Michail Ya. Melnikov, Fedor E. Gostev, Ivan V. Shelaev, Victor A. Nadtochenko
Photoinduced processes of tetrahexylammonium tetrachlorocuprate [(C6H13)4N]2CuIICl4 in chloro-organic solvents were investigated by steady state photolysis and femtosecond transient absorption spectroscopy, as well as TD-DFT calculations of excited terms.
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Spin-orbit effects in square-planar Pt(II) complexes with bidentate and terdentate ligands: theoretical absorption/emission spectroscopy

Dalton Transactions - 18 November, 2014 - 02:54

Dalton Trans., 2014, 43,17806-17819
DOI: 10.1039/C4DT01822B, PaperChristophe Gourlaouen, Chantal Daniel
Theoretical "spin-free" (in black) and "spin-orbit" (in red) absorption spectra of [Pt(tpy)Cl]+ and electronic densities characterizing the main intense bands MLCT/XLCT at 384 nm, and MLCT/LC at 326 nm and 250 nm (the experimental spectrum is shown in the inset).
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Ultrafast electronic and vibrational relaxations in mixed-ligand dithione-dithiolato Ni, Pd, and Pt complexes

Dalton Transactions - 18 November, 2014 - 02:54

Dalton Trans., 2014, 43,17666-17676
DOI: 10.1039/C4DT01955E, PaperFranziska Frei, Ariana Rondi, Davide Espa, Maria Laura Mercuri, Luca Pilia, Angela Serpe, Ahmad Odeh, Frank Van Mourik, Majed Chergui, Thomas Feurer, Paola Deplano, Antonin Vlcek, Andrea Cannizzo
Excitation of Pt, Pd, Ni dithione-dithiolates triggers fs solvation-driven charge redistribution and 6 ps ISC.
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Excited state evolution towards ligand loss and ligand chelation at group 6 metal carbonyl centres

Dalton Transactions - 18 November, 2014 - 02:54

Dalton Trans., 2014, 43,17797-17805
DOI: 10.1039/C4DT01544D, PaperOpen Access Open Access Creative Commons Licence&nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Jennifer C. Manton, Saeed Amirjalayer, Anthony C. Coleman, Suzanne McMahon, Emma C. Harvey, Gregory M. Greetham, Ian P. Clark, Wybren Jan Buma, Sander Woutersen, Mary T. Pryce, Conor Long
Picosecond time-resolved infrared measurements and quantum chemical calculations provide insight into the photophysics and photochemistry of ([small eta]6-arene)Cr(CO)3 complexes.
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Stretching the phenazine MO in dppz: the effect of phenyl and phenyl-ethynyl groups on the photophysics of Re(I) dppz complexes

Dalton Transactions - 18 November, 2014 - 02:54

Dalton Trans., 2014, 43,17775-17785
DOI: 10.1039/C4DT01415D, PaperHolly van der Salm, Christopher B. Larsen, James R. W. McLay, Michael G. Fraser, Nigel T. Lucas, Keith C. Gordon
Dppz complexes with extended conjugation show [small pi],[small pi]* and MLCT excited states in solution. Raman spectral features for the short-lived [small pi],[small pi]* state are observed in single-colour transient experiments.
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