Prof Antonin Vlcek

Research

photophysics, photochemistry, electron transfer, ultrafast spectroscopy, transition metal complexes, energy conversion

Publications

Publications of specific relevance to the Centre for Chemical Research

2024

Single-step Purification and Characterization of Pseudomonas aeruginosa Azurin
Riegerová P, Horváth M, Šebesta F, Sýkora J, Šulc M and Vlček A
Protein Expression and Purification, Elsevier, 106566-106566.  

DOI 10.1016/j.pep.2024.106566

QMRO

10-08-2024

2023

Tryptophan to Tryptophan Hole Hopping in an Azurin Construct
Melčák M, Šebesta F, Heyda J, Gray HB, Záliš S and Vlček A
The Journal of Physical Chemistry B, American Chemical Society (Acs) vol. 128 (1), 96-108.  

DOI 10.1021/acs.jpcb.3c06568

QMRO

25-12-2023

2022

Nonadiabatic excited-state dynamics of ReCl(CO)3(bpy) in two different solvents.
Šrut A, Mai S, Sazanovich IV, Heyda J, Vlček A, González L and Záliš S
Physical Chemistry Chemical Physics, Royal Society of Chemistry vol. 24 (42), 25864-25877.  

DOI 10.1039/d2cp02981b

QMRO

24-10-2022

2021

Solvent-Dependent Excited-State Evolution of Prodan Dyes.
Pospíšil P, Cwiklik L, Sýkora J, Hof M, Greetham GM, Towrie M and Vlček A
The Journal of Physical Chemistry B: Biophysical Chemistry, Biomaterials, Liquids, and Soft Matter, American Chemical Society vol. 125, 13858-13867.  

DOI 10.1021/acs.jpcb.1c09030

QMRO

16-12-2021

Excitation-Wavelength-Dependent Photophysics of d8d8 Di-isocyanide Complexes.
Pižl M, Hunter BM, Sazanovich IV, Towrie M, Gray HB, Záliš S and Vlček A
Inorganic Chemistry: Including Bioinorganic Chemistry, American Chemical Society 

DOI 10.1021/acs.inorgchem.1c02645

QMRO

14-12-2021

Photoinduced hole hopping through tryptophans in proteins
Záliš S, Heyda J, Šebesta F, Winkler JR, Gray HB and Vlček A
Proceedings of The National Academy of Sciences of The United States of America vol. 118 (11), e2024627118-e2024627118.  

DOI 10.1073/pnas.2024627118

QMRO

08-03-2021

Optical and Infrared Spectroelectrochemical Studies of CN-Substituted Bipyridyl Complexes of Ruthenium(II).
Taylor JO, Pižl M, Kloz M, Rebarz M, McCusker CE, McCusker JK, Záliš S, Hartl F and Vlček A
Inorg Chem 

DOI 10.1021/acs.inorgchem.0c03579

QMRO

01-03-2021

2020

Light-Induced Nanosecond Relaxation Dynamics of Rhenium-Labeled Pseudomonas aeruginosa Azurins.
Pospíšil P, Sýkora J, Takematsu K, Hof M, Gray HB and Vlček A
The Journal of Physical Chemistry B: Biophysical Chemistry, Biomaterials, Liquids, and Soft Matter, American Chemical Society 

DOI 10.1021/acs.jpcb.9b10802

QMRO

27-01-2020

Time-Resolved Femtosecond Stimulated Raman Spectra and DFT Anharmonic Vibrational Analysis of an Electronically Excited Rhenium Photosensitizer.
Pizl M, Picchiotti A, Rebarz M, Lenngren N, Yingliang L, Zalis S, Kloz M and Vlcek A
The Journal of Physical Chemistry a: Isolated Molecules, Clusters, Radicals, and Ions; Environmental Chemistry, Geochemistry, and Astrochemistry; Theory, American Chemical Society 

DOI 10.1021/acs.jpca.9b10840

QMRO

23-01-2020

2019

Hole hopping across a protein-protein interface
Takematsu K, Pospíšil P, Pižl M, Towrie M, Heyda J, Záliš S, Kaiser JT, Winkler JR, Gray HB and Vlček A
Journal of Physical Chemistry B vol. 123 (7), 1578-1591.  

DOI 10.1021/acs.jpcb.8b11982

QMRO

21-02-2019

Two Tryptophans Are Better Than One in Accelerating Electron Flow through a Protein
Takematsu K, Williamson HR, Nikolovski P, Kaiser JT, Sheng Y, Pospíšil P, Towrie M, Heyda J, Hollas D, Záliš S, Gray HB, Vlček A and Winkler JR
Acs Central Science vol. 5 (1), 192-200.  

DOI 10.1021/acscentsci.8b00882

QMRO

07-01-2019

2018

Vibrational Relaxation and Redistribution Dynamics in Ruthenium(II) Polypyridyl-Based Charge-Transfer Excited States: A Combined Ultrafast Electronic and Infrared Absorption Study
Brown AM, McCusker CE, Carey MC, Blanco-Rodríguez AM, Towrie M, Clark IP, Vlček A and McCusker JK
Journal of Physical Chemistry A vol. 122 (40), 7941-7953.  

DOI 10.1021/acs.jpca.8b06197

QMRO

28-09-2018

Photophysical Heavy-Atom Effect in Iodinated Metallocorroles: Spin-Orbit Coupling and Density of States.
Pomarico E, Pospisil P, Bouduban MEF, Vestfrid J, Gross Z, Zalis S, Chergui M and Vlcek A
J Phys Chem A 

DOI 10.1021/acs.jpca.8b05311

QMRO

24-08-2018

Vibrational coherence transfer in the intersystem crossing of a di-platinum complex in solution
VLCEK A
Pnas 

DOI 10.1073/pnas.1719899115

QMRO

25-06-2018

2017

Ultrafast Wiggling and Jiggling: Ir2(1,8-diisocyanomenthane)42.
Pižl M, Hunter BM, Greetham GM, Towrie M, Záliš S, Gray HB and Vlček A
J Phys Chem A vol. 121 (48), 9275-9283.  

DOI 10.1021/acs.jpca.7b10215

QMRO

13-11-2017

Electronic Structures of Reduced and Superreduced Ir2(1,8-diisocyanomenthane)4n+ Complexes.
Záliš S, Hunter BM, Gray HB and Vlček A
Inorg Chem vol. 56 (5), 2874-2883.  

DOI 10.1021/acs.inorgchem.6b03001

QMRO

06-03-2017

Conservation of vibrational coherence in ultrafast electronic relaxation: The case of diplatinum complexes in solution
Monni R, Auböck G, Kinschel D, Aziz-Lange KM, Gray HB, Vlček A and Chergui M
Chemical Physics Letters vol. 683, 112-120.  

DOI 10.1016/j.cplett.2017.02.071

QMRO

24-02-2017

Electronic structures and photophysics of d⁸-d⁸ complexes
Gray HB, Záliš S and Vlček A
Coordination Chemistry Reviews 

DOI 10.1016/j.ccr.2017.01.008

QMRO

21-01-2017

2016

Reduced and superreduced diplatinum complexes
Darnton TV, Hunter BM, Hill MG, Záliš S, Vlček A and Gray HB
Journal of The American Chemical Society vol. 138 (17), 5699-5705.  

DOI 10.1021/jacs.6b02559

QMRO

11-04-2016

Thermally Tunable Dual Emission of the d8–d8 Dimer [Pt2(μ‑P2O5(BF2)2)4]4–
Hofbeck T, Lam YC, Kalbáč M, Záliš S, Vlček A and Yersin H
Inorganic Chemistry, American Chemical Society (Acs) vol. 55 (5), 2441-2449.  

DOI 10.1021/acs.inorgchem.5b02839

24-02-2016

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
Kvapilová H, Vlček A, Barone V, Biczysko M and Záliš S
The Journal of Physical Chemistry A, American Chemical Society (Acs) vol. 119 (40), 10137-10146.  

DOI 10.1021/acs.jpca.5b07585

28-09-2015

Electronic Excited States of Tungsten(0) Arylisocyanides
Kvapilová H, Sattler W, Sattler A, Sazanovich IV, Clark IP, Towrie M, Gray HB, Záliš S and Vlček A
Inorganic Chemistry, American Chemical Society (Acs) vol. 54 (17), 8518-8528.  

DOI 10.1021/acs.inorgchem.5b01203

12-08-2015

Ultrafast Excited-State Processes in Inorganic Systems
McCusker JK and Vlček A
Accounts of Chemical Research, American Chemical Society (Acs) vol. 48 (5), 1207-1208.  

DOI 10.1021/acs.accounts.5b00235

19-05-2015

Spin–Orbit TDDFT Electronic Structure of Diplatinum(II,II) Complexes
Záliš S, Lam Y-C, Gray HB and Vlček A
Inorganic Chemistry, American Chemical Society (Acs) vol. 54 (7), 3491-3500.  

DOI 10.1021/acs.inorgchem.5b00063

QMRO

16-03-2015

Electron-Transfer Acceleration Investigated by Time Resolved Infrared Spectroscopy
Vlček A, Kvapilová H, Towrie M and Záliš S
Accounts of Chemical Research, American Chemical Society (Acs) vol. 48 (3), 868-876.  

DOI 10.1021/ar5004048

20-02-2015

Luminescence sensing and imaging: general discussion
Ceroni P, Pikramenou Z, Prodi L, Pan Q, Adams D, Weinstein J, Lewis F, Bohne C, Vlcek A, Bassani DM, de Silva AP, Moucheron C, Nocera D, Díaz-Moscoso A, Padilla M, Lemon C, Campagna S, Bradberry S, Galoppini E, Plötz P-A, et al.
Faraday Discussions, Royal Society of Chemistry (Rsc) vol. 185, 311-335.  

DOI 10.1039/c5fd90090e

01-01-2015

Natural and artificial photosynthesis: general discussion
Bohne C, Pan Q, Ceroni P, Börjesson K, Rohacova J, Lewis F, Vlcek A, Bassani DM, Würthner F, Sartorel A, de Silva AP, Nocera D, Scandola F, Lemon C, Allain C, Brudvig GW, Marchesan S, Sundstrom V, Campagna S, Sheehan SW, et al.
Faraday Discussions, Royal Society of Chemistry (Rsc) vol. 185, 187-217.  

DOI 10.1039/c5fd90089a

01-01-2015

2014

Ultrafast electronic and vibrational relaxations in mixed-ligand dithione-dithiolato Ni, Pd, and Pt complexes.
Frei F, Rondi A, Espa D, Mercuri ML, Pilia L, Serpe A, Odeh A, Van Mourik F, Chergui M, Feurer T, Deplano P, Vlček A and Cannizzo A
Dalton Trans vol. 43 (47), 17666-17676.  

DOI 10.1039/c4dt01955e

21-12-2014

Fluorescence quenching of (dimethylamino)naphthalene dyes Badan and Prodan by tryptophan in cytochromes P450 and micelles.
Pospíšil P, Luxem KE, Ener M, Sýkora J, Kocábová J, Gray HB, Vlček A and Hof M
J Phys Chem B vol. 118 (34), 10085-10091.  

DOI 10.1021/jp504625d

28-08-2014

Photophysics of singlet and triplet intraligand excited states in [ReCl(CO)3(1-(2-pyridyl)-imidazo[1,5-α]pyridine)] complexes.
Blanco-Rodríguez AM, Kvapilová H, Sýkora J, Towrie M, Nervi C, Volpi G, Záliš S and Vlček A
J Am Chem Soc vol. 136 (16), 5963-5973.  

DOI 10.1021/ja413098m

23-04-2014

Intra- and intermolecular electron hopping via tryptophan in azurin
Takematsu K, Williamson H, Winkler JR, Gray HB and Vlcek A
JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY. vol. 19, S231-S231.  
01-01-2014

2013

Tryptophan-accelerated electron flow across a protein-protein interface.
Takematsu K, Williamson H, Blanco-Rodríguez AM, Sokolová L, Nikolovski P, Kaiser JT, Towrie M, Clark IP, Vlček A, Winkler JR and Gray HB
J Am Chem Soc vol. 135 (41), 15515-15525.  

DOI 10.1021/ja406830d

16-10-2013

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.
Záliš S, Milne CJ, El Nahhas A, Blanco-Rodríguez AM, van der Veen RM and Vlček A
Inorg Chem vol. 52 (10), 5775-5785.  

DOI 10.1021/ic3025843

20-05-2013

X-ray absorption spectroscopy of ground and excited rhenium-carbonyl-diimine complexes: evidence for a two-center electron transfer.
El Nahhas A, van der Veen RM, Penfold TJ, Pham VT, Lima FA, Abela R, Blanco-Rodriguez AM, Záliš S, Vlček A, Tavernelli I, Rothlisberger U, Milne CJ and Chergui M
J Phys Chem A vol. 117 (2), 361-369.  

DOI 10.1021/jp3106502

17-01-2013

Photochemistry of Metal Carbonyls
Perutz RN, Torres O and Vlček A
In Comprehensive Inorganic Chemistry II (Second Edition): From Elements to Applications 229-253.  

DOI 10.1016/B978-0-08-097774-4.00801-9

01-01-2013

Temperature-dependent reduction pathways of complexes fac-[Re(CO)₃(N-R-imidazole)(1,10-phenanthroline)⁺ (R = H, CH₃)
Zeng Q, Messaoudani M, Vlcek AJ and Hartl F
Electrochimica Acta vol. 110, 702-708.  

DOI 10.1016/j.electacta.2013.02.018

01-01-2013

8.06 Photochemistry of Metal Carbonyls
Perutz RN, Torres O and Vlček A
In Comprehensive Inorganic Chemistry II, Elsevier 229-253.  

DOI 10.1016/b978-0-08-097774-4.00801-9

01-01-2013

2012

Spin-orbit treatment of UV-vis absorption spectra and photophysics of rhenium(I) carbonyl-bipyridine complexes: MS-CASPT2 and TD-DFT analysis.
Heydová R, Gindensperger E, Romano R, Sýkora J, Vlček A, Záliš S and Daniel C
J Phys Chem A vol. 116 (46), 11319-11329.  

DOI 10.1021/jp305461z

26-11-2012

Structural control of 1A2u-to-3A2u intersystem crossing in diplatinum(II,II) complexes.
Durrell AC, Keller GE, Lam Y-C, Sýkora J, Vlček A and Gray HB
J Am Chem Soc vol. 134 (34), 14201-14207.  

DOI 10.1021/ja305666b

29-08-2012

Electron hopping through proteins
Warren JJ, Ener ME, Vlcek AJ, Winkler JR and Gray HB
Coordination Chemistry Reviews vol. 256 (21-22), 2478-2487.  

DOI 10.1016/j.ccr.2012.03.032

01-01-2012

Electrochemical Reductive Deprotonation of an Imidazole Ligand in a Bipyridine Tricarbonyl Rhenium(I) Complex
Zeng Q, Messaoudani M, Vlcek AJ and Hartl F
European Journal of Inorganic Chemistry (3), 471-474.  

DOI 10.1002/ejic.201101100

01-01-2012

Solar fuels Preface
Vlcek AJ
Coordination Chemistry Reviews vol. 256 (21-22), 2397-2398.  

DOI 10.1016/j.ccr.2012.05.011

01-01-2012

Ultrafast Electronic Relaxations in Metal Mixed-Ligand Dithiolene Complexes
Cannizzo A, Frei F, Feurer T, Odeh A, van Mourik F, Chergui M, Espa D, Mercuri ML, Pilia L, Serpe A, Deplano P and Vlček A
Research in Optical Sciences. 

DOI 10.1364/icusd.2012.im3d.4

01-01-2012

2011

Charge photoinjection in intercalated and covalently bound [Re(CO)3(dppz)(py)]+-DNA constructs monitored by time-resolved visible and infrared spectroscopy.
Olmon ED, Sontz PA, Blanco-Rodríguez AM, Towrie M, Clark IP, Vlček A and Barton JK
J Am Chem Soc vol. 133 (34), 13718-13730.  

DOI 10.1021/ja205568r

31-08-2011

Origin of electronic absorption spectra of MLCT-excited and one-electron reduced 2,2 '-bipyridine and 1,10-phenanthroline complexes
Zalis S, Consani C, El Nahhas A, Cannizzo A, Chergui M, Hartl F and Vlcek A
Inorg Chim Acta vol. 374 (1), 578-585.  

DOI 10.1016/j.ica.2011.02.084

01-08-2011

Photoinduced intramolecular tryptophan oxidation and excited-state behavior of [Re(L-AA)(CO)3(α-diimine)](+) (L = pyridine or imidazole, AA = tryptophan, tyrosine, phenylalanine).
Blanco-Rodríguez AM, Towrie M, Sýkora J, Záliš S and Vlček A
Inorg Chem vol. 50 (13), 6122-6134.  

DOI 10.1021/ic200252z

04-07-2011

Phototriggering electron flow through Re(I)-modified Pseudomonas aeruginosa azurins.
Blanco-Rodríguez AM, Di Bilio AJ, Shih C, Museth AK, Clark IP, Towrie M, Cannizzo A, Sudhamsu J, Crane BR, Sýkora J, Winkler JR, Gray HB, Záliš S and Vlček A
Chemistry vol. 17 (19), 5350-5361.  

DOI 10.1002/chem.201002162

02-05-2011

Mass spectrometric characterization of oligomers in Pseudomonas aeruginosa azurin solutions.
Sokolová L, Williamson H, Sýkora J, Hof M, Gray HB, Brutschy B and Vlcek A
J Phys Chem B vol. 115 (16), 4790-4800.  

DOI 10.1021/jp110460k

28-04-2011

Ultrafast excited-state dynamics of rhenium(I) photosensitizers [Re(Cl)(CO)3(N,N)] and [Re(imidazole)(CO)3(N,N)]+: diimine effects.
El Nahhas A, Consani C, Blanco-Rodríguez AM, Lancaster KM, Braem O, Cannizzo A, Towrie M, Clark IP, Zális S, Chergui M and Vlcek A
Inorg Chem vol. 50 (7), 2932-2943.  

DOI 10.1021/ic102324p

04-04-2011

Relativistic effects in spectroscopy and photophysics of heavy-metal complexes illustrated by spin-orbit calculations of [Re(imidazole)(CO)(3)(phen)](+)
Bakova R, Chergui M, Daniel C, Vlcek A and Zalis S
Coordin Chem Rev vol. 255 (7-8), 975-989.  

DOI 10.1016/j.ccr.2010.12.027

01-04-2011

Vibrational relaxation and intersystem crossing of binuclear metal complexes in solution.
van der Veen RM, Cannizzo A, van Mourik F, Vlček A and Chergui M
J Am Chem Soc vol. 133 (2), 305-315.  

DOI 10.1021/ja106769w

19-01-2011

2010

ChemInform Abstract: Ultrafast Excited‐State Processes in Re(I) Carbonyl—Diimine Complexes: From Excitation to Photochemistry
Vlcek AJ
Cheminform, Wiley vol. 41 (50), no-no.  

DOI 10.1002/chin.201050222

18-11-2010

Dithiolenes and non-innocent redox-active ligands Preface
Vlcek A
Coordin Chem Rev vol. 254 (13-14), 1357-1357.  

DOI 10.1016/j.ccr.2010.01.015

01-07-2010

Ultrafast excited-state dynamics of [Re(L)(CO)3(bpy)]n complexes: involvement of the solvent.
El Nahhas A, Cannizzo A, van Mourik F, Blanco-Rodríguez AM, Zális S, Vlcek A and Chergui M
J Phys Chem A vol. 114 (22), 6361-6369.  

DOI 10.1021/jp101999m

10-06-2010

Kinetics of electron transfer in Re(H126)(W122) Pseudomonas aeruginosa azurin
Williamson HR, Sokolova L, Sykora J, Winkler JR, Vlcek AJ and Gray HB
Abstracts of Papers of The American Chemical Society vol. 240 
01-01-2010

Ultrafast Excited-State Processes in Re(I) Carbonyl-Diimine Complexes: From Excitation to Photochemistry
Vlcek A
Top Organometal Chem vol. 29, 73-114.  

DOI 10.1007/3418_2009_4

01-01-2010

2009

Relaxation dynamics of Pseudomonas aeruginosa Re(I)(CO)3(alpha-diimine)(HisX)+ (X = 83, 107, 109, 124, 126)Cu(II) azurins.
Blanco-Rodríguez AM, Busby M, Ronayne K, Towrie M, Grădinaru C, Sudhamsu J, Sýkora J, Hof M, Zális S, Di Bilio AJ, Crane BR, Gray HB and Vlcek A
J Am Chem Soc vol. 131 (33), 11788-11800.  

DOI 10.1021/ja902744s

26-08-2009

Ultrafast Excited-State Processes in Re(I) Carbonyl-Diimine Complexes: From Excitation to Photochemistry
Vlček A
In Photophysics of Organometallics, Springer Nature 115-158.  

DOI 10.1007/3418_2009_4

01-01-2009

Excited-state relaxation dynamics of Re(I) tricarbonyl complexes with macrocyclic phenanthroline ligands studied by time-resolved IR spectroscopy
Blanco-Rodriguez AM, Towrie M, Collin JP, Zalis S and Vlcek A
Dalton T (20), 3941-3949.  

DOI 10.1039/b820748h

01-01-2009

How do vibrations change their composition upon electronic excitation? - EXSY-T2D-IR measurements challenge DFT calculations
Messmer A, Rodriguez AMB, Sebera J, Hamm P, Vlcek A, Zalis S and Bredenbeck J
ULTRAFAST PHENOMENA XVI. vol. 92, 421-423. Editors: Corkum P, DeSilvestri S, Nelson KA and Riedle E. 

DOI 10.1007/978-3-540-95946-5_136

01-01-2009

2008

Femtosecond fluorescence and intersystem crossing in rhenium(I) carbonyl-bipyridine complexes
Cannizzo A, Blanco-Rodriguez AM, El Nahhas A, Sebera J, Zalis S, Vlcek A and Chergui M
J Am Chem Soc vol. 130 (28), 8967-8974.  

DOI 10.1021/ja710763w

16-07-2008

Tryptophan-accelerated electron flow through proteins
Shih C, Museth AK, Abrahamsson M, Blanco-Rodriguez AM, Di Bilio AJ, Sudhamsu J, Crane BR, Ronayne KL, Towrie M, Vlcek A, Richards JH, Winkler JR and Gray HB
Science vol. 320 (5884), 1760-1762.  

DOI 10.1126/science.1158241

27-06-2008

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.
Gabrielsson A, Towrie M, Zális S and Vlcek A
Inorg Chem vol. 47 (10), 4236-4242.  

DOI 10.1021/ic702304k

19-05-2008

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
Blanco-Rodriguez AM, Ronayne KL, Zalis S, Sykora J, Hof M and Vlcek A
J Phys Chem A vol. 112 (16), 3506-3514.  

DOI 10.1021/jp710442v

24-04-2008

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.
Busby M, Hartl F, Matousek P, Towrie M and Vlcek A
Chemistry vol. 14 (23), 6912-6923.  

DOI 10.1002/chem.200800188

01-01-2008

2007

Photochemical ligand substitution reactions of fac-[Re(bpy)(CO)3Cl] and derivatives.
Sato S, Sekine A, Ohashi Y, Ishitani O, Blanco-Rodríguez AM, Vlcek A, Unno T and Koike K
Inorg Chem vol. 46 (9), 3531-3540.  

DOI 10.1021/ic0621603

30-04-2007

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)
Busby M, Matousek P, Towrie M and Vlcek A
Inorg Chim Acta vol. 360 (3), 885-896.  

DOI 10.1016/j.ica.2006.06.018

15-02-2007

Modeling of charge-transfer transitions and excited states in d(6) transition metal complexes by DFT techniques
Vlcek A and Zalis S
Coordin Chem Rev vol. 251 (3-4), 258-287.  

DOI 10.1016/j.ccr.2006.05.021

01-02-2007

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.
Gabrielsson A, Busby M, Matousek P, Towrie M, Hevia E, Cuesta L, Perez J, Zális S and Vlcek A
Inorg Chem vol. 45 (24), 9789-9797.  

DOI 10.1021/ic0614768

27-11-2006

Ultrafast ligand-to-ligand electron and energy transfer in the complexes fac-[Re-I(L)(CO)(3)(bpy)](n+)
Vlcek A and Busby M
COORDINATION CHEMISTRY REVIEWS. vol. 250 (13-14), 1755-1762.  

DOI 10.1016/j.ccr.2006.02.002

01-07-2006

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
Gabrielsson A, Blanco-Rodriguez AM, Matousek P, Towrie M and Vlcek A
Organometallics vol. 25 (9), 2148-2156.  

DOI 10.1021/om0508886

24-04-2006

Ultrafast charge separation in a photoreactive rhenium-appended porphyrin assembly monitored by picosecond transient infrared spectroscopy.
Gabrielsson A, Hartl F, Zhang H, Lindsay Smith JR, Towrie M, Vlcek A and Perutz RN
J Am Chem Soc vol. 128 (13), 4253-4266.  

DOI 10.1021/ja0539802

05-04-2006

Excited-state dynamics of structurally characterized [Re-I(CO)(3)(phen)(HisX)](+) (X=83,109) Pseudomonas aeruginosa azurins in aqueous solution
Blanco-Rodriguez AM, Busby M, Gradinaru C, Crane BR, Di Bilio AJ, Matousek P, Towrie M, Leigh BS, Richards JH, Vlcek A and Gray HB
J Am Chem Soc vol. 128 (13), 4365-4370.  

DOI 10.1021/ja057451+

05-04-2006

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)].
Gabrielsson A, Matousek P, Towrie M, Hartl F, Zalis S and Vlcek A
J Phys Chem A vol. 109 (28), 6147-6153.  

DOI 10.1021/jp051677h

21-07-2005

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.
Blanco Rodríguez AM, Gabrielsson A, Motevalli M, Matousek P, Towrie M, Sebera J, Zális S and Vlcek A
J Phys Chem A vol. 109 (23), 5016-5025.  

DOI 10.1021/jp044114z

16-06-2005

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)](+)
Busby M, Matousek P, Towrie M and Vlcek A
J Phys Chem A vol. 109 (13), 3000-3008.  

DOI 10.1021/jp044753+

07-04-2005

A high-sensitivity femtosecond to microsecond time-resolved infrared vibrational spectrometer.
Towrie M, Gabrielsson A, Matousek P, Parker AW, Rodriguez AMB and Vlcek A
Appl Spectrosc vol. 59 (4), 467-473.  

DOI 10.1366/0003702053641397

01-04-2005

Comments on Theoretical studies of ground and excited electronic states in a series of halide rhenium(I) bipyridine complexes.
Vlcek A and Zális S
J Phys Chem A vol. 109 (12), 2991-2992.  

DOI 10.1021/jp0445829

31-03-2005

A High-Sensitivity Femtosecond to Microsecond Time-Resolved Infrared Vibrational Spectrometer
Towrie M, Gabrielsson A, Matousek P, Parker AW, BLANCO RODRIGUEZ AM and Vlcek A
Applied Spectroscopy vol. 59 (4), 467-473.  

DOI 10.1366/0003702053641397

01-01-2005

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.
Gabrielsson A, Zális S, Matousek P, Towrie M and Vlcek A
Inorg Chem vol. 43 (23), 7380-7388.  

DOI 10.1021/ic049548n

15-11-2004

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.
Busby M, Gabrielsson A, Matousek P, Towrie M, Di Bilio AJ, Gray HB and Vlcek A
Inorg Chem vol. 43 (16), 4994-5002.  

DOI 10.1021/ic035471b

09-08-2004

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.
Busby M, Matousek P, Towrie M, Clark IP, Motevalli M, Hartl F and Vlcek A
Inorg Chem vol. 43 (14), 4523-4530.  

DOI 10.1021/ic049659m

12-07-2004

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
Liard DJ, Busby M, Matousek P, Towrie M and Vlcek A
J Phys Chem A vol. 108 (13), 2363-2369.  

DOI 10.1021/jp0366320

01-04-2004

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.
Zális S, Busby M, Kotrba T, Matousek P, Towrie M and Vlcek A
Inorg Chem vol. 43 (5), 1723-1734.  

DOI 10.1021/ic035089z

08-03-2004

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)
Liard DJ, Busby M, Farrell IR, Matousek P, Towrie M and Vlcek A
J Phys Chem A vol. 108 (4), 556-567.  

DOI 10.1021/jp036822a

29-01-2004

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
Busby M, Liard DJ, Motevalli M, Toms H and Vlcek A
Inorg Chim Acta vol. 357 (1), 167-176.  

DOI 10.1016/S0020-1693(03)00386-4

09-01-2004

2003

Solvent-dependent dynamics of the MQ*-->ReII excited-state electron transfer in [Re(MQ+)(CO)3(dmb)]2+.
Liard DJ, Kleverlaan CJ and Vlcek A
Inorg Chem vol. 42 (24), 7995-8002.  

DOI 10.1021/ic0346376

01-12-2003

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)]
Zalis S, Farrell IR and Vlcek A
J Am Chem Soc vol. 125 (15), 4580-4592.  

DOI 10.1021/ja021022j

16-04-2003

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)
Zalis S, VLCEK A and Daniel C
Czechoslov. Chem. Commun. vol. 68 (1), 89-104.  

DOI 10.1135/cccc20030089

01-01-2003

2002

ChemInform Abstract: Electron‐Transfer Processes in Mononuclear Polypyridine Metal Complexes
Vlcek AJ
Cheminform, Wiley vol. 33 (49), no-no.  

DOI 10.1002/chin.200249261

10-12-2002

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)].
Farrell IR, Matousek P, Towrie M, Parker AW, Grills DC, George MW and Vlcek A
Inorg Chem vol. 41 (17), 4318-4323.  

DOI 10.1021/ic020218h

26-08-2002

Preface
Vlcek A
Coordin Chem Rev vol. 230 (1-2), 1-1.  

DOI 10.1016/s0010-8545(01)00468-4

01-08-2002

Highlights of the spectroscopy, photochemistry and electrochemistry of [M(CO)(4)(alpha-diimine)] complexes, M=Cr, Mo, W
Vlcek A
Coordin Chem Rev vol. 230 (1-2), 225-242.  

DOI 10.1016/s0010-8545(02)00047-4

01-08-2002

Early photochemical dynamics of organometallic compounds studied by ultrafast time-resolved spectroscopic techniques
Vlcek A, Farrell IR, Liard DJ, Matousek P, Towrie M, Parker AW, Grills DC and George MW
JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS. (5), 701-712.  

DOI 10.1039/b106249m

07-03-2002

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
Turki M, Daniel C, Zalis S, Vlcek A, van Slageren J and Stufkens DJ
J Am Chem Soc vol. 123 (46), 11431-11440.  

DOI 10.1021/ja010782b

21-11-2001

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
Farrell IR, Hartl F, Zalis S, Wanner M, Kaim W and Vlcek A
Inorg Chim Acta vol. 318 (1-2), 143-151.  

DOI 10.1016/s0020-1693(01)00421-2

18-06-2001

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)]
Farrell IR, van Slageren J, Zalis S and Vlcek A
Inorg Chim Acta vol. 315 (1), 44-52.  

DOI 10.1016/s0020-1693(01)00308-5

16-04-2001

Photoreactivity of Cr(CO)(4)(2,2 '-bipyridine): Quantum chemistry and photodissociation dynamics
Guillaumont D, Vlcek A and Daniel C
J Phys Chem A vol. 105 (7), 1107-1114.  

DOI 10.1021/jp994435o

22-02-2001

Electron Transfer Processes in Mononuclear Polypyridine Metal Complexes
VLCEK A
In Electron Transfer in Chemistry, Wiley-Vch 804-877. Editors: Balzani V. 

DOI 10.1002/9783527618248.ch28

01-01-2001

2000

ChemInform Abstract: Mechanisms of Ultrafast Metal—Ligand Bond Splitting upon MLCT Excitation of Carbonyl‐Diimine Complexes
Farrell IR and Vlcek A
Cheminform, Wiley vol. 31 (51), no-no.  

DOI 10.1002/chin.200051250

19-12-2000

1999

ChemInform Abstract: Mechanistic Roles of Metal‐to‐Ligand Charge‐Transfer Excited States in Organometallic Photochemistry
Vlcek A
Cheminform, Wiley vol. 30 (12), no-no.  

DOI 10.1002/chin.199912280

23-03-1999

ChemInform Abstract: Ligand‐Dependent Excited State Behavior of Re(I) and Ru(II) Carbonyl—Diimine Complexes
Stufkens DJ and Vlcek A
Cheminform, Wiley vol. 30 (12), no-no.  

DOI 10.1002/chin.199912277

23-03-1999

ChemInform Abstract: Trends in Metal—Ligand Orbital Mixing in Generic Series of Ruthenium N‐Donor Ligand Complexes — Effect on Electronic Spectra and Redox Properties
Gorelsky SI, Dodsworth ES, Lever ABP and Vlcek AA
Cheminform, Wiley vol. 30 (4), no-no.  

DOI 10.1002/chin.199904223

26-01-1999

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
STUFKENS DJ, AARNTS MP, NIJHOFF J, ROSSENAAR BD and VLCEK AJ
Cheminform, Wiley vol. 29 (37), no-no.  

DOI 10.1002/chin.199837298

15-09-1998

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
STUFKENS DJ, AARNTS MP, ROSSENAAR BD and VLCEK AJ
Cheminform, Wiley vol. 28 (42), no-no.  

DOI 10.1002/chin.199742314

14-10-1997

Grants

Grants of specific relevance to the Centre for Chemical Research

Structural Dynamics And Photoinduced Electron Transfer
Antonin Vlcek
£649,756 EPSRC Engineering and Physical Sciences Research Council
19-11-2018 - 18-10-2022