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Publications:  Prof Antonin Vlcek

Pižl M, Hunter BM, Greetham GM et al. (2017) . Ultrafast Wiggling and Jiggling: Ir2(1,8-diisocyanomenthane)42.J Phys Chem A
Záliš S, Hunter BM, Gray HB et al. (2017) . Electronic Structures of Reduced and Superreduced Ir2(1,8-diisocyanomenthane)4n+ Complexes.Inorg Chem vol. 56, (5) 2874-2883.
Monni R, Auböck G, Kinschel D et al. (2017) . Conservation of vibrational coherence in ultrafast electronic relaxation: The case of diplatinum complexes in solution.Chemical Physics Letters vol. 683, 112-120.
Gray HB, Záliš S, Vl¿ek A (2017) . Electronic structures and photophysics of d<sup>8</sup>-d<sup>8</sup> complexes.Coordination Chemistry Reviews
Darnton TV, Hunter BM, Hill MG et al. (2016) . Reduced and Superreduced Diplatinum Complexes.J Am Chem Soc vol. 138, (17) 5699-5705.
Hofbeck T, Lam YC, Kalbá¿ M et al. (2016) . Thermally Tunable Dual Emission of the d(8)-d(8) Dimer [Pt2(μ-P2O5(BF2)2)4](4).Inorg Chem vol. 55, (5) 2441-2449.
Kvapilová H, Vl¿ek A, Barone V et al. (2015) . Anharmonicity Effects in IR Spectra of [Re(X)(CO)3(α-diimine)] (α-diimine = 2,2'-bipyridine or pyridylimidazo[1,5-a]pyridine; X = Cl or NCS) Complexes in Ground and Excited Electronic States.J Phys Chem A vol. 119, (40) 10137-10146.
Kvapilová H, Sattler W, Sattler A et al. (2015) . Electronic Excited States of Tungsten(0) Arylisocyanides.Inorg Chem vol. 54, (17) 8518-8528.
McCusker JK, Vl¿ek A (2015) . Ultrafast excited-state processes in inorganic systems.Acc Chem Res vol. 48, (5) 1207-1208.
Záliš S, Lam Y-C, Gray HB et al. (2015) . Spin-orbit TDDFT electronic structure of diplatinum(II,II) complexes.Inorg Chem vol. 54, (7) 3491-3500.
Vl¿ek A, Kvapilová H, Towrie M et al. (2015) . Electron-transfer acceleration investigated by time resolved infrared spectroscopy.Acc Chem Res vol. 48, (3) 868-876.
Ceroni P, Pikramenou Z, Prodi L et al. (2015) . Luminescence sensing and imaging: general discussion.Faraday Discuss vol. 185, 311-335.
Bohne C, Pan Q, Ceroni P et al. (2015) . Natural and artificial photosynthesis: general discussion.Faraday Discuss vol. 185, 187-217.
Frei F, Rondi A, Espa D et al. (2014) . Ultrafast electronic and vibrational relaxations in mixed-ligand dithione-dithiolato Ni, Pd, and Pt complexes.Dalton Trans vol. 43, (47) 17666-17676.
Pospíšil P, Luxem KE, Ener M et al. (2014) . Fluorescence quenching of (dimethylamino)naphthalene dyes Badan and Prodan by tryptophan in cytochromes P450 and micelles.J Phys Chem B vol. 118, (34) 10085-10091.
Blanco-Rodríguez AM, Kvapilová H, Sýkora J et al. (2014) . Photophysics of singlet and triplet intraligand excited states in [ReCl(CO)3(1-(2-pyridyl)-imidazo[1,5-α]pyridine)] complexes.J Am Chem Soc vol. 136, (16) 5963-5973.
Takematsu K, Williamson H, Winkler JR et al. (2014) . Intra- and intermolecular electron hopping via tryptophan in azurin. JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY. vol. 19, S231-S231.
Zeng Q, Messaoudani M, Jr VA et al. (2013) . Temperature-dependent reduction pathways of complexes fac-[Re(CO)(3)(N-R-imidazole)(1,10-phenanthroline)(+) (R = H, CH3).ELECTROCHIMICA ACTA vol. 110, 702-708.
Takematsu K, Williamson H, Blanco-Rodríguez AM et al. (2013) . Tryptophan-accelerated electron flow across a protein-protein interface.J Am Chem Soc vol. 135, (41) 15515-15525.
Perutz RN, Torres O, Vl¿ek A (2013) . Photochemistry of Metal Carbonyls.Comprehensive Inorganic Chemistry II (Second Edition): From Elements to Applications, vol. 8,
Záliš S, Milne CJ, El Nahhas A et al. (2013) . Re and Br X-ray absorption near-edge structure study of the ground and excited states of [ReBr(CO)3(bpy)] interpreted by DFT and TD-DFT calculations.Inorg Chem vol. 52, (10) 5775-5785.
El Nahhas A, van der Veen RM, Penfold TJ et al. (2013) . X-ray absorption spectroscopy of ground and excited rhenium-carbonyl-diimine complexes: evidence for a two-center electron transfer.J Phys Chem A vol. 117, (2) 361-369.
Perutz RN, Torres O, Vl¿ek A (2013) . Photochemistry of Metal Carbonyls.Comprehensive Inorganic Chemistry II (Second Edition): From Elements to Applications, vol. 8,
Heydová R, Gindensperger E, Romano R et al. (2012) . Spin-orbit treatment of UV-vis absorption spectra and photophysics of rhenium(I) carbonyl-bipyridine complexes: MS-CASPT2 and TD-DFT analysis.J Phys Chem A vol. 116, (46) 11319-11329.
Warren JJ, Ener ME, Jr VA et al. (2012) . Electron hopping through proteins.COORDINATION CHEMISTRY REVIEWS vol. 256, (21-22) 2478-2487.
Jr VA (2012) . Solar fuels Preface.COORDINATION CHEMISTRY REVIEWS vol. 256, (21-22) 2397-2398.
Durrell AC, Keller GE, Lam Y-C et al. (2012) . Structural control of 1A2u-to-3A2u intersystem crossing in diplatinum(II,II) complexes.J Am Chem Soc vol. 134, (34) 14201-14207.
Zeng Q, Messaoudani M, Jr VA et al. (2012) . Electrochemical Reductive Deprotonation of an Imidazole Ligand in a Bipyridine Tricarbonyl Rhenium(I) Complex.EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (3) 471-474.
Olmon ED, Sontz PA, Blanco-Rodríguez AM et al. (2011) . Charge photoinjection in intercalated and covalently bound [Re(CO)3(dppz)(py)]+-DNA constructs monitored by time-resolved visible and infrared spectroscopy.J Am Chem Soc vol. 133, (34) 13718-13730.
Zalis S, Consani C, El Nahhas A et al. (2011) . Origin of electronic absorption spectra of MLCT-excited and one-electron reduced 2,2 '-bipyridine and 1,10-phenanthroline complexes.INORG CHIM ACTA vol. 374, (1) 578-585.
Blanco-Rodríguez AM, Towrie M, Sýkora J et al. (2011) . Photoinduced intramolecular tryptophan oxidation and excited-state behavior of [Re(L-AA)(CO)3(α-diimine)](+) (L = pyridine or imidazole, AA = tryptophan, tyrosine, phenylalanine).Inorg Chem vol. 50, (13) 6122-6134.
Blanco-Rodríguez AM, Di Bilio AJ, Shih C et al. (2011) . Phototriggering electron flow through Re(I)-modified Pseudomonas aeruginosa azurins.Chemistry vol. 17, (19) 5350-5361.
Sokolová L, Williamson H, Sýkora J et al. (2011) . Mass spectrometric characterization of oligomers in Pseudomonas aeruginosa azurin solutions.J Phys Chem B vol. 115, (16) 4790-4800.
El Nahhas A, Consani C, Blanco-Rodríguez AM et al. (2011) . Ultrafast excited-state dynamics of rhenium(I) photosensitizers [Re(Cl)(CO)3(N,N)] and [Re(imidazole)(CO)3(N,N)]+: diimine effects.Inorg Chem vol. 50, (7) 2932-2943.
Bakova R, Chergui M, Daniel C et al. (2011) . Relativistic effects in spectroscopy and photophysics of heavy-metal complexes illustrated by spin-orbit calculations of [Re(imidazole)(CO)(3)(phen)](+).COORDIN CHEM REV vol. 255, (7-8) 975-989.
van der Veen RM, Cannizzo A, van Mourik F et al. (2011) . Vibrational relaxation and intersystem crossing of binuclear metal complexes in solution.J Am Chem Soc vol. 133, (2) 305-315.
Williamson HR, Sokolova L, Sykora J et al. (2010) . Kinetics of electron transfer in Re(H126)(W122) Pseudomonas aeruginosa azurin.ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY vol. 240,
Vlcek A (2010) . Dithiolenes and non-innocent redox-active ligands Preface.COORDIN CHEM REV vol. 254, (13-14) 1357-1357.
El Nahhas A, Cannizzo A, van Mourik F et al. (2010) . Ultrafast excited-state dynamics of [Re(L)(CO)3(bpy)]n complexes: involvement of the solvent.J Phys Chem A vol. 114, (22) 6361-6369.
Vlcek A (2010) . Ultrafast Excited-State Processes in Re(I) Carbonyl-Diimine Complexes: From Excitation to Photochemistry.TOP ORGANOMETAL CHEM vol. 29, 73-114.
Blanco-Rodríguez AM, Busby M, Ronayne K et al. (2009) . Relaxation dynamics of Pseudomonas aeruginosa Re(I)(CO)3(alpha-diimine)(HisX)+ (X = 83, 107, 109, 124, 126)Cu(II) azurins.J Am Chem Soc vol. 131, (33) 11788-11800.
Blanco-Rodriguez AM, Towrie M, Collin JP et al. (2009) . Excited-state relaxation dynamics of Re(I) tricarbonyl complexes with macrocyclic phenanthroline ligands studied by time-resolved IR spectroscopy.DALTON T (20) 3941-3949.
Messmer A, Rodriguez AMB, Sebera J et al. (2009) . How do vibrations change their composition upon electronic excitation? - EXSY-T2D-IR measurements challenge DFT calculations. ULTRAFAST PHENOMENA XVI. Editors: Corkum, P, DeSilvestri, S, Nelson, KA, Riedle, E et al., vol. 92, 421-423.
Cannizzo A, Blanco-Rodriguez AM, El Nahhas A et al. (2008) . Femtosecond fluorescence and intersystem crossing in rhenium(I) carbonyl-bipyridine complexes.J AM CHEM SOC vol. 130, (28) 8967-8974.
Shih C, Museth AK, Abrahamsson M et al. (2008) . Tryptophan-accelerated electron flow through proteins.SCIENCE vol. 320, (5884) 1760-1762.
Gabrielsson A, Towrie M, Zális S et al. (2008) . Nanosecond CO photodissociation and excited-state character of [Ru(X)(X')(CO)2(N,N'-diisopropyl-1,4-diazabutadiene)] (X=X'=Cl or I; X=Me, X'=I; X=SnPh3, X'=Cl) studied by time-resolved infrared spectroscopy and DFT calculations.Inorg Chem vol. 47, (10) 4236-4242.
Blanco-Rodriguez AM, Ronayne KL, Zalis S et al. (2008) . Solvation-driven excited-state dynamics of [Re(4-Et-Pyridine)(CO)(3)(2,2 '-bipyridine)](+) in imidazolium ionic liquids. A time-resolved infrared and phosphorescence study.J PHYS CHEM A vol. 112, (16) 3506-3514.
Busby M, Hartl F, Matousek P et al. (2008) . Ultrafast excited state dynamics controlling photochemical isomerization of N-methyl-4-[trans-2-(4-pyridyl)ethenyl]pyridinium coordinated to a {Re I(CO)3(2,2'-bipyridine)} chromophore.Chemistry vol. 14, (23) 6912-6923.
Sato S, Sekine A, Ohashi Y et al. (2007) . Photochemical ligand substitution reactions of fac-[Re(bpy)(CO)3Cl] and derivatives.Inorg Chem vol. 46, (9) 3531-3540.
Busby M, Matousek P, Towrie M et al. (2007) . Ultrafast excited-state dynamics of photoisomerizing complexes fac-[Re(Cl)(CO)(3)(papy)(2)] and fac-[Re(papy)(CO)(3)(bpy)](+) (papy = trans-4-phenylazopyridine).INORG CHIM ACTA vol. 360, (3) 885-896.
Vlcek A, Zalis S (2007) . Modeling of charge-transfer transitions and excited states in d(6) transition metal complexes by DFT techniques.COORDIN CHEM REV vol. 251, (3-4) 258-287.
Gabrielsson A, Busby M, Matousek P et al. (2006) . Electronic structure and excited states of rhenium(I) amido and phosphido carbonyl-bipyridine complexes studied by picosecond time-resolved IR spectroscopy and DFT calculations.Inorg Chem vol. 45, (24) 9789-9797.
Vlcek A, Busby M (2006) . Ultrafast ligand-to-ligand electron and energy transfer in the complexes fac-[Re-I(L)(CO)(3)(bpy)](n+). COORDINATION CHEMISTRY REVIEWS. vol. 250, 1755-1762.
Gabrielsson A, Blanco-Rodriguez AM, Matousek P et al. (2006) . Different mechanisms of photochemical Re-Me and Re-Et bond homolysis in [Re(R)(CO)(3)(4,4 '-dimethyl-2,2 '-bipyridine)]. A time-resolved IR spectroscopic study ranging from picoseconds to microseconds.ORGANOMETALLICS vol. 25, (9) 2148-2156.
Blanco-Rodriguez AM, Busby M, Gradinaru C et al. (2006) . Excited-state dynamics of structurally characterized [Re-I(CO)(3)(phen)(HisX)](+) (X=83,109) Pseudomonas aeruginosa azurins in aqueous solution.J AM CHEM SOC vol. 128, (13) 4365-4370.
Gabrielsson A, Hartl F, Zhang H et al. (2006) . Ultrafast charge separation in a photoreactive rhenium-appended porphyrin assembly monitored by picosecond transient infrared spectroscopy.J Am Chem Soc vol. 128, (13) 4253-4266.
Gabrielsson A, Matousek P, Towrie M et al. (2005) . Excited states of nitro-polypyridine metal complexes and their ultrafast decay. Time-resolved IR Absorption, spectroelectrochemistry, and TD-DFT calculations of fac-[Re(Cl)(CO)3(5-nitro-1,10-phenanthroline)].J Phys Chem A vol. 109, (28) 6147-6153.
Blanco Rodríguez AM, Gabrielsson A, Motevalli M et al. (2005) . Ligand-to-diimine/metal-to-diimine charge-transfer excited states of [Re(NCS)(CO)3(alpha-diimine)] (alpha-diimine = 2,2'-bipyridine, di-iPr-N,N-1,4-diazabutadiene). A spectroscopic and computational study.J Phys Chem A vol. 109, (23) 5016-5025.
Busby M, Matousek P, Towrie M et al. (2005) . Ultrafast excited-state dynamics preceding a ligand trans-cis isomerization of fac-[Re(Cl)(CO)(3)(t-4-styrylpyridine)(2)] and fac-[Re(t-4-styrylpyridine)(CO)(3)(2,2 ' bipyridine)](+).J PHYS CHEM A vol. 109, (13) 3000-3008.
Towrie M, Gabrielsson A, Matousek P et al. (2005) . A high-sensitivity femtosecond to microsecond time-resolved infrared vibrational spectrometer.Appl Spectrosc vol. 59, (4) 467-473.
Vlcek A, Zális S (2005) . Comments on "Theoretical studies of ground and excited electronic states in a series of halide rhenium(I) bipyridine complexes".J Phys Chem A vol. 109, (12) 2991-2992.
Gabrielsson A, Zális S, Matousek P et al. (2004) . Ultrafast photochemical dissociation of an equatorial CO ligand from trans(X,X)-[Ru(X)2(CO)2(bpy)] (X = Cl, Br, I): a picosecond time-resolved infrared spectroscopic and DFT computational study.Inorg Chem vol. 43, (23) 7380-7388.
Busby M, Gabrielsson A, Matousek P et al. (2004) . Excited-state dynamics of fac-[ReI(L)(CO)3(phen)]+ and fac-[ReI(L)(CO)3(5-NO2-phen)]+ (L = imidazole, 4-ethylpyridine; phen = 1,10-phenanthroline) complexes.Inorg Chem vol. 43, (16) 4994-5002.
Busby M, Matousek P, Towrie M et al. (2004) . Rhenium-to-benzoylpyridine and rhenium-to-bipyridine MLCT excited states of fac-[Re(Cl)(4-benzoylpyridine)(2)(CO)(3)] and fac-[Re(4-benzoylpyridine)(CO)(3)(bpy)](+): a time-resolved spectroscopic and spectroelectrochemical study.Inorg Chem vol. 43, (14) 4523-4530.
Liard DJ, Busby M, Matousek P et al. (2004) . Picosecond relaxation of (MLCT)-M-3 excited states of [Re(Etpy)(CO)(3)(dmb)](+) and [Re(Cl)(CO)(3)(bpy)] as revealed by time-resolved resonance raman, UV-vis, and IR absorption spectroscopy.J PHYS CHEM A vol. 108, (13) 2363-2369.
Zális S, Busby M, Kotrba T et al. (2004) . Excited-state characters and dynamics of [W(CO)(5)(4-cyanopyridine)] and [W(CO)(5)(piperidine)] studied by picosecond time-resolved IR and resonance Raman spectroscopy and DFT calculations: roles of W --> L and W --> CO MLCT and LF excited states revised.Inorg Chem vol. 43, (5) 1723-1734.
Liard DJ, Busby M, Farrell IR et al. (2004) . Mechanism and dynamics of interligand electron transfer in fac-[Re(MQ(+))(CO)(3)(dmb)](2+). An ultrafast time-resolved visible and IR absorption, resonance raman, and emission study (dmb = 4,4 '-dimethyl-2,2 '-bipyridine, MQ(+) = N-methyl-4,4 '-bipyridinium).J PHYS CHEM A vol. 108, (4) 556-567.
Busby M, Liard DJ, Motevalli M et al. (2004) . Molecular structures of electron-transfer active complexes [Re(XQ(+))(CO)(3)(NN)](2+) (XQ(+) N-Me-4,4 '-bipyridinium or N-Ph-4,4 '-bipyridinium; NN = bpy, 4,4 '-Me-2-2,2 '-bpy or N,N '-bis-isopropyl-1,4-diazabutadiene) in the solid state and solution: an X-ray and NOESY NMR study.INORG CHIM ACTA vol. 357, (1) 167-176.
Liard DJ, Kleverlaan CJ, Vlcek A (2003) . Solvent-dependent dynamics of the MQ*-->ReII excited-state electron transfer in [Re(MQ+)(CO)3(dmb)]2+.Inorg Chem vol. 42, (24) 7995-8002.
Zalis S, Farrell IR, Vlcek A (2003) . The involvement of metal-to-CO charge transfer and ligand-field excited states in the spectroscopy and photochemistry of mixed-ligand metal carbonyls. A theoretical and spectroscopic study of [W(CO)(4)(1,2-ethylenediamine)] and [W(CO)(4)(N,/N '-bis-alkyl-1,4-diazabutadiene)].J AM CHEM SOC vol. 125, (15) 4580-4592.
Zalis S, VLCEK A, Daniel C (2003) . The character of low-lying excited states of mixed-ligand metal carbonyls. TD-DFT and CASSCF/CASPT2 study of [W(CO)(4)L] (L = ethylenediamine, N,N '-dialkyl-1,4-diazabutadiene) and [W(CO)(5)L] (L = pyridine, 4-cyanopyridine).Czechoslov. Chem. Commun. vol. 68, (1) 89-104.
Farrell IR, Matousek P, Towrie M et al. (2002) . Direct observation of competitive ultrafast CO dissociation and relaxation of an MLCT excited state: picosecond time-resolved infrared spectroscopic study of [Cr(CO)(4)(2,2'-bipyridine)].Inorg Chem vol. 41, (17) 4318-4323.
Vlcek A (2002) . Highlights of the spectroscopy, photochemistry and electrochemistry of [M(CO)(4)(alpha-diimine)] complexes, M=Cr, Mo, W.COORDIN CHEM REV vol. 230, (1-2) 225-242.
Vlcek A (2002) . Preface.COORDIN CHEM REV vol. 230, (1-2) 1-1.
Vlcek A, Farrell IR, Liard DJ et al. (2002) . Early photochemical dynamics of organometallic compounds studied by ultrafast time-resolved spectroscopic techniques. JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS. 701-712.
Turki M, Daniel C, Zalis S et al. (2001) . UV-visible absorption spectra of [Ru(E)(E ')(CO)(2)(iPr-DAB)] (E = E ' = SnPh3 or Cl; E = SnPh3 or Cl, E ' = CH3; iPr-DAB = N,N '-di-isopropyl-1,4-diaza-1,3-butadiene): Combination of CASSCF/CASPT2 and TD-DFT calculations.J AM CHEM SOC vol. 123, (46) 11431-11440.
Farrell IR, Hartl F, Zalis S et al. (2001) . Electrochemical oxidation of [Cr(CO)(4)(tmp)] to the low-spin Cr(I) species [Cr(CO)(4)(tmp)](+) (tmp=3,4,7,8-tetramethyl-1,10-phenanthroline): an IR, UV-Vis, and EPR spectroelectrochemical and DFT computational study of the accompanying changes in molecular and electronic structure.INORG CHIM ACTA vol. 318, (1-2) 143-151.
Farrell IR, van Slageren J, Zalis S et al. (2001) . Time-resolved emission spectra and TD-DFT excited-state calculations of [W(CO)(4)(1,10-phenanthroline)] and [W(CO)(4)(3,4,7,8-tetramethyl-1,10-phenanthroline)].INORG CHIM ACTA vol. 315, (1) 44-52.
Guillaumont D, Vlcek A, Daniel C (2001) . Photoreactivity of Cr(CO)(4)(2,2 '-bipyridine): Quantum chemistry and photodissociation dynamics.J PHYS CHEM A vol. 105, (7) 1107-1114.
VLCEK A (2001) . Electron Transfer Processes in Mononuclear Polypyridine Metal Complexes.Electron Transfer in Chemistry, Editors: Balzani, V, vol. Vol 2, Wiley-VCH (Weinheim),
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