Professor Antonin VlcekProfessor Of Inorganic ChemistryEmail: a.vlcek@qmul.ac.ukTelephone: 020 7882 3260Room Number: Joseph Priestley Building, Room 1.15PublicationsResearchPublications Melčák M, Šebesta F, Heyda J et al. (2024). Tryptophan to Tryptophan Hole Hopping in an Azurin Construct. nameOfConference DOI: 10.1021/acs.jpcb.3c06568 QMRO: qmroHref Šrut A, Mai S, Sazanovich IV et al. (2022). Nonadiabatic excited-state dynamics of ReCl(CO)3(bpy) in two different solvents.. nameOfConference DOI: 10.1039/d2cp02981b QMRO: https://qmro.qmul.ac.uk/xmlui/handle/123456789/82677 Pospíšil P, Cwiklik L, Sýkora J et al. (2021). Solvent-Dependent Excited-State Evolution of Prodan Dyes.. nameOfConference DOI: 10.1021/acs.jpcb.1c09030 QMRO: https://qmro.qmul.ac.uk/xmlui/handle/123456789/76566 Pižl M, Hunter BM, Sazanovich IV et al. (2021). Excitation-Wavelength-Dependent Photophysics of d8d8 Di-isocyanide Complexes.. nameOfConference DOI: 10.1021/acs.inorgchem.1c02645 QMRO: https://qmro.qmul.ac.uk/xmlui/handle/123456789/76567 Záliš S, Heyda J, Šebesta F et al. (2021). Photoinduced hole hopping through tryptophans in proteins. nameOfConference DOI: 10.1073/pnas.2024627118 QMRO: https://qmro.qmul.ac.uk/xmlui/handle/123456789/71237 Taylor JO, Pižl M, Kloz M et al. (2021). Optical and Infrared Spectroelectrochemical Studies of CN-Substituted Bipyridyl Complexes of Ruthenium(II).. nameOfConference DOI: 10.1021/acs.inorgchem.0c03579 QMRO: https://qmro.qmul.ac.uk/xmlui/handle/123456789/71110 Takematsu K, Pospíšil P, Pižl M et al. (2019). Hole hopping across a protein-protein interface. nameOfConference DOI: 10.1021/acs.jpcb.8b11982 QMRO: https://qmro.qmul.ac.uk/xmlui/handle/123456789/55223 Pospíšil P, Sýkora J, Takematsu K et al. (2020). Light-Induced Nanosecond Relaxation Dynamics of Rhenium-Labeled Pseudomonas aeruginosa Azurins.. nameOfConference DOI: 10.1021/acs.jpcb.9b10802 QMRO: https://qmro.qmul.ac.uk/xmlui/handle/123456789/62658 Pizl M, Picchiotti A, Rebarz M et al. (2020). Time-Resolved Femtosecond Stimulated Raman Spectra and DFT Anharmonic Vibrational Analysis of an Electronically Excited Rhenium Photosensitizer.. nameOfConference DOI: 10.1021/acs.jpca.9b10840 QMRO: https://qmro.qmul.ac.uk/xmlui/handle/123456789/62765 Takematsu K, Williamson HR, Nikolovski P et al. (2019). Two Tryptophans Are Better Than One in Accelerating Electron Flow through a Protein. nameOfConference DOI: 10.1021/acscentsci.8b00882 QMRO: https://qmro.qmul.ac.uk/xmlui/handle/123456789/55211 Brown AM, McCusker CE, Carey MC et al. (2018). Vibrational Relaxation and Redistribution Dynamics in Ruthenium(II) Polypyridyl-Based Charge-Transfer Excited States: A Combined Ultrafast Electronic and Infrared Absorption Study. nameOfConference DOI: 10.1021/acs.jpca.8b06197 QMRO: https://qmro.qmul.ac.uk/xmlui/handle/123456789/48463 Pomarico E, Pospisil P, Bouduban MEF et al. (2018). Photophysical Heavy-Atom Effect in Iodinated Metallocorroles: Spin-Orbit Coupling and Density of States.. nameOfConference DOI: 10.1021/acs.jpca.8b05311 QMRO: https://qmro.qmul.ac.uk/xmlui/handle/123456789/44383 VLCEK A (2018). Vibrational coherence transfer in the intersystem crossing of a di-platinum complex in solution. nameOfConference DOI: 10.1073/pnas.1719899115 QMRO: https://qmro.qmul.ac.uk/xmlui/handle/123456789/41929 Pižl M, Hunter BM, Greetham GM et al. (2017). Ultrafast Wiggling and Jiggling: Ir2(1,8-diisocyanomenthane)42.. nameOfConference DOI: 10.1021/acs.jpca.7b10215 QMRO: https://qmro.qmul.ac.uk/xmlui/handle/123456789/29011 Záliš S, Hunter BM, Gray HB et al. (2017). Electronic Structures of Reduced and Superreduced Ir2(1,8-diisocyanomenthane)4n+ Complexes.. nameOfConference DOI: 10.1021/acs.inorgchem.6b03001 QMRO: https://qmro.qmul.ac.uk/xmlui/handle/123456789/21239 Monni R, Auböck G, Kinschel D et al. (2017). Conservation of vibrational coherence in ultrafast electronic relaxation: The case of diplatinum complexes in solution. nameOfConference DOI: 10.1016/j.cplett.2017.02.071 QMRO: https://qmro.qmul.ac.uk/xmlui/handle/123456789/28639 Gray HB, Záliš S, Vlček A (2017). Electronic structures and photophysics of d8-d8 complexes. nameOfConference DOI: 10.1016/j.ccr.2017.01.008 QMRO: https://qmro.qmul.ac.uk/xmlui/handle/123456789/21219 Darnton TV, Hunter BM, Hill MG et al. (2016). Reduced and superreduced diplatinum complexes. nameOfConference DOI: 10.1021/jacs.6b02559 QMRO: https://qmro.qmul.ac.uk/xmlui/handle/123456789/23358 Hofbeck T, Lam YC, Kalbáč M et al. (2016). Thermally Tunable Dual Emission of the d8–d8 Dimer [Pt2(μ‑P2O5(BF2)2)4]4–. nameOfConference DOI: 10.1021/acs.inorgchem.5b02839 QMRO: qmroHref Kvapilová H, Vlček 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. nameOfConference DOI: 10.1021/acs.jpca.5b07585 QMRO: qmroHref Kvapilová H, Sattler W, Sattler A et al. (2015). Electronic Excited States of Tungsten(0) Arylisocyanides. nameOfConference DOI: 10.1021/acs.inorgchem.5b01203 QMRO: qmroHref McCusker JK, Vlček A (2015). Ultrafast Excited-State Processes in Inorganic Systems. nameOfConference DOI: 10.1021/acs.accounts.5b00235 QMRO: qmroHref Záliš S, Lam Y-C, Gray HB et al. (2015). Spin–Orbit TDDFT Electronic Structure of Diplatinum(II,II) Complexes. nameOfConference DOI: 10.1021/acs.inorgchem.5b00063 QMRO: https://qmro.qmul.ac.uk/xmlui/handle/123456789/7669 Vlček A, Kvapilová H, Towrie M et al. (2015). Electron-Transfer Acceleration Investigated by Time Resolved Infrared Spectroscopy. nameOfConference DOI: 10.1021/ar5004048 QMRO: qmroHref Ceroni P, Pikramenou Z, Prodi L et al. (2015). Luminescence sensing and imaging: general discussion. nameOfConference DOI: 10.1039/c5fd90090e QMRO: qmroHref Bohne C, Pan Q, Ceroni P et al. (2015). Natural and artificial photosynthesis: general discussion. nameOfConference DOI: 10.1039/c5fd90089a QMRO: qmroHref Frei F, Rondi A, Espa D et al. (2014). Ultrafast electronic and vibrational relaxations in mixed-ligand dithione-dithiolato Ni, Pd, and Pt complexes.. nameOfConference DOI: 10.1039/c4dt01955e QMRO: qmroHref 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.. nameOfConference DOI: 10.1021/jp504625d QMRO: qmroHref 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.. nameOfConference DOI: 10.1021/ja413098m QMRO: qmroHref Takematsu K, Williamson H, Winkler JR et al. (2014). Intra- and intermolecular electron hopping via tryptophan in azurin. nameOfConference DOI: doi QMRO: qmroHref Takematsu K, Williamson H, Blanco-Rodríguez AM et al. (2013). Tryptophan-accelerated electron flow across a protein-protein interface.. nameOfConference DOI: 10.1021/ja406830d QMRO: qmroHref 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.. nameOfConference DOI: 10.1021/ic3025843 QMRO: qmroHref 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.. nameOfConference DOI: 10.1021/jp3106502 QMRO: qmroHref Perutz RN, Torres O, Vlček A (2013). 8.06 Photochemistry of Metal Carbonyls. nameOfConference DOI: 10.1016/b978-0-08-097774-4.00801-9 QMRO: qmroHref Perutz RN, Torres O, Vlček A (2013). Photochemistry of Metal Carbonyls. nameOfConference DOI: 10.1016/B978-0-08-097774-4.00801-9 QMRO: qmroHref Zeng Q, Messaoudani M, Vlcek AJ et al. (2013). Temperature-dependent reduction pathways of complexes fac-[Re(CO)3(N-R-imidazole)(1,10-phenanthroline)+ (R = H, CH3). nameOfConference DOI: 10.1016/j.electacta.2013.02.018 QMRO: qmroHref 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.. nameOfConference DOI: 10.1021/jp305461z QMRO: qmroHref Durrell AC, Keller GE, Lam Y-C et al. (2012). Structural control of 1A2u-to-3A2u intersystem crossing in diplatinum(II,II) complexes.. nameOfConference DOI: 10.1021/ja305666b QMRO: qmroHref Zeng Q, Messaoudani M, Vlcek AJ et al. (2012). Electrochemical Reductive Deprotonation of an Imidazole Ligand in a Bipyridine Tricarbonyl Rhenium(I) Complex. nameOfConference DOI: 10.1002/ejic.201101100 QMRO: qmroHref Warren JJ, Ener ME, Vlcek AJ et al. (2012). Electron hopping through proteins. nameOfConference DOI: 10.1016/j.ccr.2012.03.032 QMRO: qmroHref Vlcek AJ (2012). Solar fuels Preface. nameOfConference DOI: 10.1016/j.ccr.2012.05.011 QMRO: qmroHref Cannizzo A, Frei F, Feurer T et al. (publicationYear). Ultrafast Electronic Relaxations in Metal Mixed-Ligand Dithiolene Complexes. Research in Optical Sciences DOI: 10.1364/icusd.2012.im3d.4 QMRO: qmroHref 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.. nameOfConference DOI: 10.1021/ja205568r QMRO: qmroHref 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. nameOfConference DOI: 10.1016/j.ica.2011.02.084 QMRO: qmroHref 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).. nameOfConference DOI: 10.1021/ic200252z QMRO: qmroHref Blanco-Rodríguez AM, Di Bilio AJ, Shih C et al. (2011). Phototriggering electron flow through Re(I)-modified Pseudomonas aeruginosa azurins.. nameOfConference DOI: 10.1002/chem.201002162 QMRO: qmroHref Sokolová L, Williamson H, Sýkora J et al. (2011). Mass spectrometric characterization of oligomers in Pseudomonas aeruginosa azurin solutions.. nameOfConference DOI: 10.1021/jp110460k QMRO: qmroHref 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.. nameOfConference DOI: 10.1021/ic102324p QMRO: qmroHref 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)](+). nameOfConference DOI: 10.1016/j.ccr.2010.12.027 QMRO: qmroHref van der Veen RM, Cannizzo A, van Mourik F et al. (2011). Vibrational relaxation and intersystem crossing of binuclear metal complexes in solution.. nameOfConference DOI: 10.1021/ja106769w QMRO: qmroHref Vlcek AJ (2010). ChemInform Abstract: Ultrafast Excited‐State Processes in Re(I) Carbonyl—Diimine Complexes: From Excitation to Photochemistry. nameOfConference DOI: 10.1002/chin.201050222 QMRO: qmroHref STUFKENS DJ, AARNTS MP, ROSSENAAR BD et al. (1997). ChemInform Abstract: A New Series of Re‐ and Ru‐Complexes Having a Lowest σπ* Excited State That Varies from Reactive to Stable and Long Lived. nameOfConference DOI: 10.1002/chin.199742314 QMRO: qmroHref Vlcek A (2010). Dithiolenes and non-innocent redox-active ligands Preface. nameOfConference DOI: 10.1016/j.ccr.2010.01.015 QMRO: qmroHref STUFKENS DJ, AARNTS MP, NIJHOFF J et al. (1998). ChemInform Abstract: Excited States of Metal—Metal Bonded Diimine Complexes Vary from Extremely Long Lived to Very Reactive with Formation of Radicals or Zwitterions. nameOfConference DOI: 10.1002/chin.199837298 QMRO: qmroHref Stufkens DJ, Vlcek A (1999). ChemInform Abstract: Ligand‐Dependent Excited State Behavior of Re(I) and Ru(II) Carbonyl—Diimine Complexes. nameOfConference DOI: 10.1002/chin.199912277 QMRO: qmroHref Vlcek A (1999). ChemInform Abstract: Mechanistic Roles of Metal‐to‐Ligand Charge‐Transfer Excited States in Organometallic Photochemistry. nameOfConference DOI: 10.1002/chin.199912280 QMRO: qmroHref Gorelsky SI, Dodsworth ES, Lever ABP et al. (1999). ChemInform Abstract: Trends in Metal—Ligand Orbital Mixing in Generic Series of Ruthenium N‐Donor Ligand Complexes — Effect on Electronic Spectra and Redox Properties. nameOfConference DOI: 10.1002/chin.199904223 QMRO: qmroHref 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.. nameOfConference DOI: 10.1021/jp101999m QMRO: qmroHref Farrell IR, Vlcek A (2000). ChemInform Abstract: Mechanisms of Ultrafast Metal—Ligand Bond Splitting upon MLCT Excitation of Carbonyl‐Diimine Complexes. nameOfConference DOI: 10.1002/chin.200051250 QMRO: qmroHref Vlcek AJ (2002). ChemInform Abstract: Electron‐Transfer Processes in Mononuclear Polypyridine Metal Complexes. nameOfConference DOI: 10.1002/chin.200249261 QMRO: qmroHref Williamson HR, Sokolova L, Sykora J et al. (2010). Kinetics of electron transfer in Re(H126)(W122) Pseudomonas aeruginosa azurin. nameOfConference DOI: doi QMRO: qmroHref Vlcek A (2010). Ultrafast Excited-State Processes in Re(I) Carbonyl-Diimine Complexes: From Excitation to Photochemistry. nameOfConference DOI: 10.1007/3418_2009_4 QMRO: qmroHref 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.. nameOfConference DOI: 10.1021/ja902744s QMRO: qmroHref Vlček A (2009). Ultrafast Excited-State Processes in Re(I) Carbonyl-Diimine Complexes: From Excitation to Photochemistry. nameOfConference DOI: 10.1007/3418_2009_4 QMRO: qmroHref 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. nameOfConference DOI: 10.1039/b820748h QMRO: qmroHref 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. nameOfConference DOI: 10.1007/978-3-540-95946-5_136 QMRO: qmroHref Cannizzo A, Blanco-Rodriguez AM, El Nahhas A et al. (2008). Femtosecond fluorescence and intersystem crossing in rhenium(I) carbonyl-bipyridine complexes. nameOfConference DOI: 10.1021/ja710763w QMRO: qmroHref Shih C, Museth AK, Abrahamsson M et al. (2008). Tryptophan-accelerated electron flow through proteins. nameOfConference DOI: 10.1126/science.1158241 QMRO: qmroHref 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.. nameOfConference DOI: 10.1021/ic702304k QMRO: qmroHref 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. nameOfConference DOI: 10.1021/jp710442v QMRO: qmroHref 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.. nameOfConference DOI: 10.1002/chem.200800188 QMRO: qmroHref Sato S, Sekine A, Ohashi Y et al. (2007). Photochemical ligand substitution reactions of fac-[Re(bpy)(CO)3Cl] and derivatives.. nameOfConference DOI: 10.1021/ic0621603 QMRO: qmroHref 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). nameOfConference DOI: 10.1016/j.ica.2006.06.018 QMRO: qmroHref Vlcek A, Zalis S (2007). Modeling of charge-transfer transitions and excited states in d(6) transition metal complexes by DFT techniques. nameOfConference DOI: 10.1016/j.ccr.2006.05.021 QMRO: qmroHref 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.. nameOfConference DOI: 10.1021/ic0614768 QMRO: qmroHref Vlcek A, Busby M (2006). Ultrafast ligand-to-ligand electron and energy transfer in the complexes fac-[Re-I(L)(CO)(3)(bpy)](n+). nameOfConference DOI: 10.1016/j.ccr.2006.02.002 QMRO: qmroHref 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. nameOfConference DOI: 10.1021/om0508886 QMRO: qmroHref 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. nameOfConference DOI: 10.1021/ja057451+ QMRO: qmroHref 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.. nameOfConference DOI: 10.1021/ja0539802 QMRO: qmroHref 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)].. nameOfConference DOI: 10.1021/jp051677h QMRO: qmroHref 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.. nameOfConference DOI: 10.1021/jp044114z QMRO: qmroHref 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)](+). nameOfConference DOI: 10.1021/jp044753+ QMRO: qmroHref Towrie M, Gabrielsson A, Matousek P et al. (2005). A high-sensitivity femtosecond to microsecond time-resolved infrared vibrational spectrometer.. nameOfConference DOI: 10.1366/0003702053641397 QMRO: qmroHref Vlcek A, Zális S (2005). Comments on "Theoretical studies of ground and excited electronic states in a series of halide rhenium(I) bipyridine complexes".. nameOfConference DOI: 10.1021/jp0445829 QMRO: qmroHref Towrie M, Gabrielsson A, Matousek P et al. (2005). A High-Sensitivity Femtosecond to Microsecond Time-Resolved Infrared Vibrational Spectrometer. nameOfConference DOI: 10.1366/0003702053641397 QMRO: qmroHref 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.. nameOfConference DOI: 10.1021/ic049548n QMRO: qmroHref 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.. nameOfConference DOI: 10.1021/ic035471b QMRO: qmroHref 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.. nameOfConference DOI: 10.1021/ic049659m QMRO: qmroHref 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. nameOfConference DOI: 10.1021/jp0366320 QMRO: qmroHref 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.. nameOfConference DOI: 10.1021/ic035089z QMRO: qmroHref 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). nameOfConference DOI: 10.1021/jp036822a QMRO: qmroHref 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. nameOfConference DOI: 10.1016/S0020-1693(03)00386-4 QMRO: qmroHref 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+.. nameOfConference DOI: 10.1021/ic0346376 QMRO: qmroHref 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)]. nameOfConference DOI: 10.1021/ja021022j QMRO: qmroHref 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). nameOfConference DOI: 10.1135/cccc20030089 QMRO: qmroHref 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)].. nameOfConference DOI: 10.1021/ic020218h QMRO: qmroHref Vlcek A (2002). Highlights of the spectroscopy, photochemistry and electrochemistry of [M(CO)(4)(alpha-diimine)] complexes, M=Cr, Mo, W. nameOfConference DOI: 10.1016/s0010-8545(02)00047-4 QMRO: qmroHref Vlcek A (2002). Preface. nameOfConference DOI: 10.1016/s0010-8545(01)00468-4 QMRO: qmroHref Vlcek A, Farrell IR, Liard DJ et al. (2002). Early photochemical dynamics of organometallic compounds studied by ultrafast time-resolved spectroscopic techniques. nameOfConference DOI: 10.1039/b106249m QMRO: qmroHref 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. nameOfConference DOI: 10.1021/ja010782b QMRO: qmroHref 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. nameOfConference DOI: 10.1016/s0020-1693(01)00421-2 QMRO: qmroHref 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)]. nameOfConference DOI: 10.1016/s0020-1693(01)00308-5 QMRO: qmroHref Guillaumont D, Vlcek A, Daniel C (2001). Photoreactivity of Cr(CO)(4)(2,2 '-bipyridine): Quantum chemistry and photodissociation dynamics. nameOfConference DOI: 10.1021/jp994435o QMRO: qmroHref VLCEK A (2001). Electron Transfer Processes in Mononuclear Polypyridine Metal Complexes. nameOfConference DOI: 10.1002/9783527618248.ch28 QMRO: qmroHref