skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Towards Noble-Metal-Free Dyads: Ground and Excited State Tuning by a Cobalt Dimethylglyoxime Motif Connected to an Iron N-Heterocyclic Carbene Photosensitizer: Towards Noble-Metal-Free Dyads: Ground and Excited State Tuning by a Cobalt Dimethylglyoxime Motif Connected to an Iron N-Heterocyclic Carbene Photose

Abstract

Heteroleptic iron based complexes bearing the 2,6-bis[3-(2,6-diisopropylphenyl)imidazol-2-ylidene]pyridine motif and a polypridine ligand have been synthesized and characterized in their ground and excited state. This series of complexes includes a first example of a hetero-bimetallic complex connecting an iron N-heterocyclic carbene photosensitizer with a cobalt dimethylglyoxime fragment. Focus is set on the influence of the linker and cobalt center as second ligand at the iron center on the photophysics. While electronic absorption spectroscopy and cyclic voltammetry reveal a weak mutual influence of the single ligands in the heteroleptic complexes, an increasing MLCT lifetime with larger pi-accepting abilities was found by time-resolved transient absorption spectroscopy, with maximum lifetime in the case of the hetero-bimetallic dyad. Concurrently the MC lifetimes were observed to decrease. The reported results will allow to develop guidelines for designing bimetallic devices, which may allow electron transfer from the photosensitizer fragment to a catalytically active center.

Authors:
 [1];  [1];  [1];  [2];  [3];  [1];  [1];  [4];  [1];  [5];  [6]; ORCiD logo [1]
  1. Paderborn Univ. (Germany)
  2. Technical Univ. of Denmark, Lyngby (Denmark); Lund Univ. (Sweden)
  3. Argonne National Lab. (ANL), Lemont, IL (United States)
  4. Univ. of Duisburg-Essen, Essen (Germany)
  5. Adam Mickiewicz Univ., Poznan (Poland)
  6. Deutsches Elektronen-Synchrotron (DESY), Notkestrasse (Germany); ELI-ALPS, ELI-HU Non-Profit Ltd., Szeged (Hungary)
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
Swedish Research Council (SRC); National Science Centre (Poland); Bundesministerium für Bildung und Forschung (BMBF); European XFEL; USDOE
OSTI Identifier:
1559274
Grant/Contract Number:  
AC02-06CH11357
Resource Type:
Accepted Manuscript
Journal Name:
European Journal of Inorganic Chemistry
Additional Journal Information:
Journal Volume: 2018; Journal Issue: 48; Journal ID: ISSN 1434-1948
Publisher:
ChemPubSoc Europe
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; cobalt; iron complexes; photochemistry

Citation Formats

Zimmer, Peter, Burkhardt, Lukas, Schepper, Rahel, Zheng, Kaibo, Gosztola, David, Neuba, Adam, Flörke, Ulrich, Wölper, Christoph, Schoch, Roland, Gawelda, Wojciech, Canton, Sophie E., and Bauer, Matthias. Towards Noble-Metal-Free Dyads: Ground and Excited State Tuning by a Cobalt Dimethylglyoxime Motif Connected to an Iron N-Heterocyclic Carbene Photosensitizer: Towards Noble-Metal-Free Dyads: Ground and Excited State Tuning by a Cobalt Dimethylglyoxime Motif Connected to an Iron N-Heterocyclic Carbene Photose. United States: N. p., 2018. Web. doi:10.1002/ejic.201800946.
Zimmer, Peter, Burkhardt, Lukas, Schepper, Rahel, Zheng, Kaibo, Gosztola, David, Neuba, Adam, Flörke, Ulrich, Wölper, Christoph, Schoch, Roland, Gawelda, Wojciech, Canton, Sophie E., & Bauer, Matthias. Towards Noble-Metal-Free Dyads: Ground and Excited State Tuning by a Cobalt Dimethylglyoxime Motif Connected to an Iron N-Heterocyclic Carbene Photosensitizer: Towards Noble-Metal-Free Dyads: Ground and Excited State Tuning by a Cobalt Dimethylglyoxime Motif Connected to an Iron N-Heterocyclic Carbene Photose. United States. doi:10.1002/ejic.201800946.
Zimmer, Peter, Burkhardt, Lukas, Schepper, Rahel, Zheng, Kaibo, Gosztola, David, Neuba, Adam, Flörke, Ulrich, Wölper, Christoph, Schoch, Roland, Gawelda, Wojciech, Canton, Sophie E., and Bauer, Matthias. Mon . "Towards Noble-Metal-Free Dyads: Ground and Excited State Tuning by a Cobalt Dimethylglyoxime Motif Connected to an Iron N-Heterocyclic Carbene Photosensitizer: Towards Noble-Metal-Free Dyads: Ground and Excited State Tuning by a Cobalt Dimethylglyoxime Motif Connected to an Iron N-Heterocyclic Carbene Photose". United States. doi:10.1002/ejic.201800946. https://www.osti.gov/servlets/purl/1559274.
@article{osti_1559274,
title = {Towards Noble-Metal-Free Dyads: Ground and Excited State Tuning by a Cobalt Dimethylglyoxime Motif Connected to an Iron N-Heterocyclic Carbene Photosensitizer: Towards Noble-Metal-Free Dyads: Ground and Excited State Tuning by a Cobalt Dimethylglyoxime Motif Connected to an Iron N-Heterocyclic Carbene Photose},
author = {Zimmer, Peter and Burkhardt, Lukas and Schepper, Rahel and Zheng, Kaibo and Gosztola, David and Neuba, Adam and Flörke, Ulrich and Wölper, Christoph and Schoch, Roland and Gawelda, Wojciech and Canton, Sophie E. and Bauer, Matthias},
abstractNote = {Heteroleptic iron based complexes bearing the 2,6-bis[3-(2,6-diisopropylphenyl)imidazol-2-ylidene]pyridine motif and a polypridine ligand have been synthesized and characterized in their ground and excited state. This series of complexes includes a first example of a hetero-bimetallic complex connecting an iron N-heterocyclic carbene photosensitizer with a cobalt dimethylglyoxime fragment. Focus is set on the influence of the linker and cobalt center as second ligand at the iron center on the photophysics. While electronic absorption spectroscopy and cyclic voltammetry reveal a weak mutual influence of the single ligands in the heteroleptic complexes, an increasing MLCT lifetime with larger pi-accepting abilities was found by time-resolved transient absorption spectroscopy, with maximum lifetime in the case of the hetero-bimetallic dyad. Concurrently the MC lifetimes were observed to decrease. The reported results will allow to develop guidelines for designing bimetallic devices, which may allow electron transfer from the photosensitizer fragment to a catalytically active center.},
doi = {10.1002/ejic.201800946},
journal = {European Journal of Inorganic Chemistry},
number = 48,
volume = 2018,
place = {United States},
year = {2018},
month = {9}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 1 work
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Photochemical production of hydrogen and oxygen from water: A review and state of the art
journal, January 1995


Hydrogen Evolution from Water by Visible Light, a Homogeneous Three Component Test System for Redox Catalysis
journal, November 1978

  • Kalyanasundaram, Kuppuswamy; Kiwi, John; Grätzel, Michael
  • Helvetica Chimica Acta, Vol. 61, Issue 7
  • DOI: 10.1002/hlca.19780610740

Model systems for photocatalytic water reduction: role of pH and metal colloid catalysts
journal, March 1981

  • Miller, Deborah.; McLendon, George.
  • Inorganic Chemistry, Vol. 20, Issue 3
  • DOI: 10.1021/ic50217a065

Photon-Driven Catalytic Proton Reduction with a Robust Homoleptic Iridium(III) 6-Phenyl-2,2′-bipyridine Complex ([Ir(C /\ N /\ N) 2 ] + )
journal, November 2009

  • Tinker, Leonard L.; Bernhard, Stefan
  • Inorganic Chemistry, Vol. 48, Issue 22
  • DOI: 10.1021/ic900777g

Synthesis and Characterization of New Iridium Photosensitizers for Catalytic Hydrogen Generation from Water
journal, February 2012

  • Gärtner, Felix; Denurra, Stefania; Losse, Sebastian
  • Chemistry - A European Journal, Vol. 18, Issue 11
  • DOI: 10.1002/chem.201103670

Discovery and High-Throughput Screening of Heteroleptic Iridium Complexes for Photoinduced Hydrogen Production
journal, May 2005

  • Goldsmith, Jonas I.; Hudson, William R.; Lowry, Michael S.
  • Journal of the American Chemical Society, Vol. 127, Issue 20
  • DOI: 10.1021/ja0427101

Visible Light Induced Catalytic Water Reduction without an Electron Relay
journal, October 2007

  • Tinker, Leonard L.; McDaniel, Neal D.; Curtin, Peter N.
  • Chemistry - A European Journal, Vol. 13, Issue 31
  • DOI: 10.1002/chem.200700480

Homogeneous catalysis of platinum(II) complexes in photochemical hydrogen production from water
journal, November 2007


Progress towards solar-powered homogeneous water photolysis
journal, January 2009

  • Tinker, Leonard L.; McDaniel, Neal D.; Bernhard, Stefan
  • Journal of Materials Chemistry, Vol. 19, Issue 21
  • DOI: 10.1039/b818112h

Photochemical hydrogen production and cobaloximes: the influence of the cobalt axial N-ligand on the system stability
journal, January 2016

  • Panagiotopoulos, Athanassios; Ladomenou, Kalliopi; Sun, Dongyue
  • Dalton Transactions, Vol. 45, Issue 15
  • DOI: 10.1039/C5DT04502A

Photocatalytic Water Reduction with Copper-Based Photosensitizers: A Noble-Metal-Free System
journal, October 2012

  • Luo, Shu-Ping; Mejía, Esteban; Friedrich, Aleksej
  • Angewandte Chemie International Edition, Vol. 52, Issue 1
  • DOI: 10.1002/anie.201205915

Photocatalytic Water Reduction with Copper-Based Photosensitizers: A Noble-Metal-Free System
journal, October 2012

  • Luo, Shu-Ping; Mejía, Esteban; Friedrich, Aleksej
  • Angewandte Chemie, Vol. 125, Issue 1
  • DOI: 10.1002/ange.201205915

Photocatalytic Hydrogen Generation from Water with Iron Carbonyl Phosphine Complexes: Improved Water Reduction Catalysts and Mechanistic Insights
journal, April 2011

  • Gärtner, Felix; Boddien, Albert; Barsch, Enrico
  • Chemistry – A European Journal, Vol. 17, Issue 23
  • DOI: 10.1002/chem.201003564

Iron sensitizer converts light to electrons with 92% yield
journal, October 2015

  • Harlang, Tobias C. B.; Liu, Yizhu; Gordivska, Olga
  • Nature Chemistry, Vol. 7, Issue 11
  • DOI: 10.1038/nchem.2365

Fe N -Heterocyclic Carbene Complexes as Promising Photosensitizers
journal, July 2016


A low-spin Fe(iii) complex with 100-ps ligand-to-metal charge transfer photoluminescence
journal, March 2017

  • Chábera, Pavel; Liu, Yizhu; Prakash, Om
  • Nature, Vol. 543, Issue 7647
  • DOI: 10.1038/nature21430

Fe II Hexa N -Heterocyclic Carbene Complex with a 528 ps Metal-to-Ligand Charge-Transfer Excited-State Lifetime
journal, January 2018

  • Chábera, Pavel; Kjaer, Kasper S.; Prakash, Om
  • The Journal of Physical Chemistry Letters, Vol. 9, Issue 3
  • DOI: 10.1021/acs.jpclett.7b02962

Solvent control of charge transfer excited state relaxation pathways in [Fe(2,2′-bipyridine)(CN) 4 ] 2−
journal, January 2018

  • Kjær, Kasper S.; Kunnus, Kristjan; Harlang, Tobias C. B.
  • Physical Chemistry Chemical Physics, Vol. 20, Issue 6
  • DOI: 10.1039/C7CP07838B

The Connection between NHC Ligand Count and Photophysical Properties in Fe(II) Photosensitizers: An Experimental Study
journal, December 2017


Highly Strained Iron(II) Polypyridines: Exploiting the Quintet Manifold To Extend the Lifetime of MLCT Excited States
journal, February 2016

  • Shepard, Samuel G.; Fatur, Steven M.; Rappé, Anthony K.
  • Journal of the American Chemical Society, Vol. 138, Issue 9
  • DOI: 10.1021/jacs.5b13524

Computational Estimate of the Photophysical Capabilities of Four Series of Organometallic Iron(II) Complexes
journal, May 2016


Exceptional Excited-State Lifetime of an Iron(II)– N -Heterocyclic Carbene Complex Explained
journal, May 2014

  • Fredin, Lisa A.; Pápai, Mátyás; Rozsályi, Emese
  • The Journal of Physical Chemistry Letters, Vol. 5, Issue 12
  • DOI: 10.1021/jz500829w

Boosting Vis/NIR Charge-Transfer Absorptions of Iron(II) Complexes by N-Alkylation and N-Deprotonation in the Ligand Backbone
journal, May 2017

  • Mengel, Andreas K. C.; Bissinger, Christian; Dorn, Matthias
  • Chemistry - A European Journal, Vol. 23, Issue 33
  • DOI: 10.1002/chem.201700959

A new record excited state 3 MLCT lifetime for metalorganic iron( ii ) complexes
journal, January 2016

  • Liu, Li; Duchanois, Thibaut; Etienne, Thibaud
  • Physical Chemistry Chemical Physics, Vol. 18, Issue 18
  • DOI: 10.1039/C6CP01418F

An Iron-Based Photosensitizer with Extended Excited-State Lifetime: Photophysical and Photovoltaic Properties: An Iron-Based Photosensitizer with Extended Excited-State Lifetime
journal, April 2015

  • Duchanois, Thibaut; Etienne, Thibaud; Cebrián, Cristina
  • European Journal of Inorganic Chemistry, Vol. 2015, Issue 14
  • DOI: 10.1002/ejic.201500142

Towards longer-lived metal-to-ligand charge transfer states of iron(ii) complexes: an N-heterocyclic carbene approach
journal, January 2013

  • Liu, Yizhu; Harlang, Tobias; Canton, Sophie E.
  • Chemical Communications, Vol. 49, Issue 57
  • DOI: 10.1039/c3cc43833c

Heteroleptic Pyridyl-Carbene Iron Complexes with Tuneable Electronic Properties: Tuneable Pyridyl-Carbene Iron Complexes
journal, July 2014

  • Duchanois, Thibaut; Etienne, Thibaud; Beley, Marc
  • European Journal of Inorganic Chemistry, Vol. 2014, Issue 23
  • DOI: 10.1002/ejic.201402356

Hydrogen Evolution Catalyzed by Cobaloximes
journal, December 2009

  • Dempsey, Jillian L.; Brunschwig, Bruce S.; Winkler, Jay R.
  • Accounts of Chemical Research, Vol. 42, Issue 12
  • DOI: 10.1021/ar900253e

Pendant-functionalised ligands for metallosupramolecular assemblies; ruthenium( II ) and osmium( II ) complexes of 4′-(4-pyridy1)-2,2′ : 6′,2″-terpyridine
journal, January 1994

  • Constable, Edwin C.; Thompson, Alexander M. W. Cargill
  • J. Chem. Soc., Dalton Trans., Issue 9
  • DOI: 10.1039/DT9940001409

Development of supramolecular structure through alkylation of pendant pyridyl functionality
journal, January 2000

  • Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus
  • Journal of the Chemical Society, Dalton Transactions, Issue 13
  • DOI: 10.1039/b000940g

Hydrogen Photoevolution from a Green-Absorbing Iridium(III)-Cobalt­(III) Dyad
journal, March 2016

  • Jacques, Alexandre; Schott, Olivier; Robeyns, Koen
  • European Journal of Inorganic Chemistry, Vol. 2016, Issue 12
  • DOI: 10.1002/ejic.201501467

Cobaloxime-Based Photocatalytic Devices for Hydrogen Production
journal, January 2008

  • Fihri, Aziz; Artero, Vincent; Razavet, Mathieu
  • Angewandte Chemie International Edition, Vol. 47, Issue 3
  • DOI: 10.1002/anie.200702953

Cobaloxime-Based Photocatalytic Devices for Hydrogen Production
journal, January 2008

  • Fihri, Aziz; Artero, Vincent; Razavet, Mathieu
  • Angewandte Chemie, Vol. 120, Issue 3
  • DOI: 10.1002/ange.200702953

Cobalt complexes as artificial hydrogenases for the reductive side of water splitting
journal, August 2013

  • Eckenhoff, William T.; McNamara, William R.; Du, Pingwu
  • Biochimica et Biophysica Acta (BBA) - Bioenergetics, Vol. 1827, Issue 8-9
  • DOI: 10.1016/j.bbabio.2013.05.003

N-Heterocyclic Pincer Dicarbene Complexes of Iron(II):  C-2 and C-5 Metalated Carbenes on the Same Metal Center
journal, January 2004

  • Danopoulos, Andreas A.; Tsoureas, Nikolaos; Wright, Joseph A.
  • Organometallics, Vol. 23, Issue 2
  • DOI: 10.1021/om0341911

High resolution 1s core hole X-ray spectroscopy in 3d transition metal complexes—electronic and structural information
journal, January 2005


HERFD-XAS and valence-to-core-XES: new tools to push the limits in research with hard X-rays?
journal, January 2014


Application of isotopic labelling to band assignments in the i.r. spectra of cobaloximes with axially-coordinated pyridine and methyl or halide ligands
journal, January 1979

  • Rutherford, Phillip E.; Thornton, David A.
  • Spectrochimica Acta Part A: Molecular Spectroscopy, Vol. 35, Issue 6
  • DOI: 10.1016/0584-8539(79)80134-8

Photocatalytic Hydrogen Production Using a Red-Absorbing Ir(III)–Co(III) Dyad
journal, May 2017


Electrochromism and Solvatochromism
journal, March 1969


Elektrochromie – Solvatochromie
journal, March 1969


Kinetic Studies of the Reduction of [Co(dmgH) 2 (py)(Cl)] Revisited: Mechanisms, Products, and Implications
journal, June 2014

  • Kahnt, Axel; Peuntinger, Katrin; Dammann, Claudia
  • The Journal of Physical Chemistry A, Vol. 118, Issue 25
  • DOI: 10.1021/jp501947y

Ultrafast Dynamics in the Metal-to-Ligand Charge Transfer Excited-State Evolution of [Ru(4,4‘-diphenyl-2,2‘-bipyridine) 3 ] 2+
journal, October 1999

  • Damrauer, Niels H.; McCusker, James K.
  • The Journal of Physical Chemistry A, Vol. 103, Issue 42
  • DOI: 10.1021/jp9927754

Phenyl substituents and excited-state lifetimes in ruthenium(II) terpyridyls
journal, February 1991

  • Hecker, Clark R.; Gushurst, Ann. K. I.; McMillin, David R.
  • Inorganic Chemistry, Vol. 30, Issue 3
  • DOI: 10.1021/ic00003a037

Ligand manipulation of charge transfer excited state relaxation and spin crossover in [Fe(2,2′-bipyridine) 2 (CN) 2 ]
journal, July 2017

  • Kjær, Kasper S.; Zhang, Wenkai; Alonso-Mori, Roberto
  • Structural Dynamics, Vol. 4, Issue 4
  • DOI: 10.1063/1.4985017

A Facile Route to Sterically Hindered and Non-Hindered 4′-Aryl-2,2′:6′,2′′-Terpyridines
journal, April 2005


A short history of SHELX
journal, December 2007

  • Sheldrick, George M.
  • Acta Crystallographica Section A Foundations of Crystallography, Vol. 64, Issue 1, p. 112-122
  • DOI: 10.1107/S0108767307043930

Accurate DFT-D3 Calculations in a Small Basis Set
journal, July 2017

  • Hostaš, Jiří; Řezáč, Jan
  • Journal of Chemical Theory and Computation, Vol. 13, Issue 8
  • DOI: 10.1021/acs.jctc.7b00365

Time-dependent density functional calculations of ligand K-edge X-ray absorption spectra
journal, March 2008

  • DeBeer George, Serena; Petrenko, Taras; Neese, Frank
  • Inorganica Chimica Acta, Vol. 361, Issue 4
  • DOI: 10.1016/j.ica.2007.05.046

Prediction of Iron K-Edge Absorption Spectra Using Time-Dependent Density Functional Theory
journal, December 2008

  • DeBeer George, Serena; Petrenko, Taras; Neese, Frank
  • The Journal of Physical Chemistry A, Vol. 112, Issue 50
  • DOI: 10.1021/jp803174m

Manganese K-Edge X-Ray Absorption Spectroscopy as a Probe of the Metal–Ligand Interactions in Coordination Compounds
journal, December 2011

  • Roemelt, Michael; Beckwith, Martha A.; Duboc, Carole
  • Inorganic Chemistry, Vol. 51, Issue 1
  • DOI: 10.1021/ic202229b

Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
journal, January 2005

  • Weigend, Florian; Ahlrichs, Reinhart
  • Physical Chemistry Chemical Physics, Vol. 7, Issue 18, p. 3297-3305
  • DOI: 10.1039/b508541a

Accurate Coulomb-fitting basis sets for H to Rn
journal, January 2006

  • Weigend, Florian
  • Physical Chemistry Chemical Physics, Vol. 8, Issue 9
  • DOI: 10.1039/b515623h

Effect of the damping function in dispersion corrected density functional theory
journal, March 2011

  • Grimme, Stefan; Ehrlich, Stephan; Goerigk, Lars
  • Journal of Computational Chemistry, Vol. 32, Issue 7
  • DOI: 10.1002/jcc.21759

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
journal, April 2010

  • Grimme, Stefan; Antony, Jens; Ehrlich, Stephan
  • The Journal of Chemical Physics, Vol. 132, Issue 15
  • DOI: 10.1063/1.3382344

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
journal, May 2009

  • Marenich, Aleksandr V.; Cramer, Christopher J.; Truhlar, Donald G.
  • The Journal of Physical Chemistry B, Vol. 113, Issue 18, p. 6378-6396
  • DOI: 10.1021/jp810292n

Theory of Stationary Electrode Polarography. Single Scan and Cyclic Methods Applied to Reversible, Irreversible, and Kinetic Systems.
journal, April 1964

  • Nicholson, R. S.; Shain, Irving
  • Analytical Chemistry, Vol. 36, Issue 4, p. 706-723
  • DOI: 10.1021/ac60210a007

Cyclic Voltammetry—“Electrochemical Spectroscopy”. New Analytical Methods(25)
journal, November 1984

  • Heinze, Jürgen
  • Angewandte Chemie International Edition in English, Vol. 23, Issue 11
  • DOI: 10.1002/anie.198408313

Cyclovoltammetrie — die „Spektroskopie” des Elektrochemikers
journal, November 1984


A cathode ray polarograph. Part II.—The current-voltage curves
journal, January 1948


    Works referencing / citing this record:

    CCDC 1852327: Experimental Crystal Structure Determination
    dataset, January 2018


    Elektrochromie – Solvatochromie
    journal, March 1969


    Cyclovoltammetrie — die „Spektroskopie” des Elektrochemikers
    journal, November 1984


    Cobaloxime-Based Photocatalytic Devices for Hydrogen Production
    journal, January 2008

    • Fihri, Aziz; Artero, Vincent; Razavet, Mathieu
    • Angewandte Chemie, Vol. 120, Issue 3
    • DOI: 10.1002/ange.200702953

    Photocatalytic Water Reduction with Copper-Based Photosensitizers: A Noble-Metal-Free System
    journal, October 2012

    • Luo, Shu-Ping; Mejía, Esteban; Friedrich, Aleksej
    • Angewandte Chemie, Vol. 125, Issue 1
    • DOI: 10.1002/ange.201205915

    Electrochromism and Solvatochromism
    journal, March 1969


    Cyclic Voltammetry—“Electrochemical Spectroscopy”. New Analytical Methods(25)
    journal, November 1984

    • Heinze, Jürgen
    • Angewandte Chemie International Edition in English, Vol. 23, Issue 11
    • DOI: 10.1002/anie.198408313

    Cobaloxime-Based Photocatalytic Devices for Hydrogen Production
    journal, January 2008

    • Fihri, Aziz; Artero, Vincent; Razavet, Mathieu
    • Angewandte Chemie International Edition, Vol. 47, Issue 3
    • DOI: 10.1002/anie.200702953

    Photocatalytic Water Reduction with Copper-Based Photosensitizers: A Noble-Metal-Free System
    journal, October 2012

    • Luo, Shu-Ping; Mejía, Esteban; Friedrich, Aleksej
    • Angewandte Chemie International Edition, Vol. 52, Issue 1
    • DOI: 10.1002/anie.201205915

    Visible Light Induced Catalytic Water Reduction without an Electron Relay
    journal, October 2007

    • Tinker, Leonard L.; McDaniel, Neal D.; Curtin, Peter N.
    • Chemistry - A European Journal, Vol. 13, Issue 31
    • DOI: 10.1002/chem.200700480

    Photocatalytic Hydrogen Generation from Water with Iron Carbonyl Phosphine Complexes: Improved Water Reduction Catalysts and Mechanistic Insights
    journal, April 2011

    • Gärtner, Felix; Boddien, Albert; Barsch, Enrico
    • Chemistry – A European Journal, Vol. 17, Issue 23
    • DOI: 10.1002/chem.201003564

    Synthesis and Characterization of New Iridium Photosensitizers for Catalytic Hydrogen Generation from Water
    journal, February 2012

    • Gärtner, Felix; Denurra, Stefania; Losse, Sebastian
    • Chemistry - A European Journal, Vol. 18, Issue 11
    • DOI: 10.1002/chem.201103670

    Boosting Vis/NIR Charge-Transfer Absorptions of Iron(II) Complexes by N-Alkylation and N-Deprotonation in the Ligand Backbone
    journal, May 2017

    • Mengel, Andreas K. C.; Bissinger, Christian; Dorn, Matthias
    • Chemistry - A European Journal, Vol. 23, Issue 33
    • DOI: 10.1002/chem.201700959

    Heteroleptic Pyridyl-Carbene Iron Complexes with Tuneable Electronic Properties: Tuneable Pyridyl-Carbene Iron Complexes
    journal, July 2014

    • Duchanois, Thibaut; Etienne, Thibaud; Beley, Marc
    • European Journal of Inorganic Chemistry, Vol. 2014, Issue 23
    • DOI: 10.1002/ejic.201402356

    An Iron-Based Photosensitizer with Extended Excited-State Lifetime: Photophysical and Photovoltaic Properties: An Iron-Based Photosensitizer with Extended Excited-State Lifetime
    journal, April 2015

    • Duchanois, Thibaut; Etienne, Thibaud; Cebrián, Cristina
    • European Journal of Inorganic Chemistry, Vol. 2015, Issue 14
    • DOI: 10.1002/ejic.201500142

    Hydrogen Photoevolution from a Green-Absorbing Iridium(III)-Cobalt­(III) Dyad
    journal, March 2016

    • Jacques, Alexandre; Schott, Olivier; Robeyns, Koen
    • European Journal of Inorganic Chemistry, Vol. 2016, Issue 12
    • DOI: 10.1002/ejic.201501467

    Hydrogen Evolution from Water by Visible Light, a Homogeneous Three Component Test System for Redox Catalysis
    journal, November 1978

    • Kalyanasundaram, Kuppuswamy; Kiwi, John; Grätzel, Michael
    • Helvetica Chimica Acta, Vol. 61, Issue 7
    • DOI: 10.1002/hlca.19780610740

    Effect of the damping function in dispersion corrected density functional theory
    journal, March 2011

    • Grimme, Stefan; Ehrlich, Stephan; Goerigk, Lars
    • Journal of Computational Chemistry, Vol. 32, Issue 7
    • DOI: 10.1002/jcc.21759

    Application of isotopic labelling to band assignments in the i.r. spectra of cobaloximes with axially-coordinated pyridine and methyl or halide ligands
    journal, January 1979

    • Rutherford, Phillip E.; Thornton, David A.
    • Spectrochimica Acta Part A: Molecular Spectroscopy, Vol. 35, Issue 6
    • DOI: 10.1016/0584-8539(79)80134-8

    Photochemical production of hydrogen and oxygen from water: A review and state of the art
    journal, January 1995


    Cobalt complexes as artificial hydrogenases for the reductive side of water splitting
    journal, August 2013

    • Eckenhoff, William T.; McNamara, William R.; Du, Pingwu
    • Biochimica et Biophysica Acta (BBA) - Bioenergetics, Vol. 1827, Issue 8-9
    • DOI: 10.1016/j.bbabio.2013.05.003

    High resolution 1s core hole X-ray spectroscopy in 3d transition metal complexes—electronic and structural information
    journal, January 2005


    Homogeneous catalysis of platinum(II) complexes in photochemical hydrogen production from water
    journal, November 2007


    Time-dependent density functional calculations of ligand K-edge X-ray absorption spectra
    journal, March 2008

    • DeBeer George, Serena; Petrenko, Taras; Neese, Frank
    • Inorganica Chimica Acta, Vol. 361, Issue 4
    • DOI: 10.1016/j.ica.2007.05.046

    Theory of Stationary Electrode Polarography. Single Scan and Cyclic Methods Applied to Reversible, Irreversible, and Kinetic Systems.
    journal, April 1964

    • Nicholson, R. S.; Shain, Irving
    • Analytical Chemistry, Vol. 36, Issue 4, p. 706-723
    • DOI: 10.1021/ac60210a007

    Fe N -Heterocyclic Carbene Complexes as Promising Photosensitizers
    journal, July 2016


    Computational Estimate of the Photophysical Capabilities of Four Series of Organometallic Iron(II) Complexes
    journal, May 2016


    Photocatalytic Hydrogen Production Using a Red-Absorbing Ir(III)–Co(III) Dyad
    journal, May 2017


    The Connection between NHC Ligand Count and Photophysical Properties in Fe(II) Photosensitizers: An Experimental Study
    journal, December 2017


    Accurate DFT-D3 Calculations in a Small Basis Set
    journal, July 2017

    • Hostaš, Jiří; Řezáč, Jan
    • Journal of Chemical Theory and Computation, Vol. 13, Issue 8
    • DOI: 10.1021/acs.jctc.7b00365

    Fe II Hexa N -Heterocyclic Carbene Complex with a 528 ps Metal-to-Ligand Charge-Transfer Excited-State Lifetime
    journal, January 2018

    • Chábera, Pavel; Kjaer, Kasper S.; Prakash, Om
    • The Journal of Physical Chemistry Letters, Vol. 9, Issue 3
    • DOI: 10.1021/acs.jpclett.7b02962

    Hydrogen Evolution Catalyzed by Cobaloximes
    journal, December 2009

    • Dempsey, Jillian L.; Brunschwig, Bruce S.; Winkler, Jay R.
    • Accounts of Chemical Research, Vol. 42, Issue 12
    • DOI: 10.1021/ar900253e

    Phenyl substituents and excited-state lifetimes in ruthenium(II) terpyridyls
    journal, February 1991

    • Hecker, Clark R.; Gushurst, Ann. K. I.; McMillin, David R.
    • Inorganic Chemistry, Vol. 30, Issue 3
    • DOI: 10.1021/ic00003a037

    Manganese K-Edge X-Ray Absorption Spectroscopy as a Probe of the Metal–Ligand Interactions in Coordination Compounds
    journal, December 2011

    • Roemelt, Michael; Beckwith, Martha A.; Duboc, Carole
    • Inorganic Chemistry, Vol. 51, Issue 1
    • DOI: 10.1021/ic202229b

    Model systems for photocatalytic water reduction: role of pH and metal colloid catalysts
    journal, March 1981

    • Miller, Deborah.; McLendon, George.
    • Inorganic Chemistry, Vol. 20, Issue 3
    • DOI: 10.1021/ic50217a065

    Photon-Driven Catalytic Proton Reduction with a Robust Homoleptic Iridium(III) 6-Phenyl-2,2′-bipyridine Complex ([Ir(C /\ N /\ N) 2 ] + )
    journal, November 2009

    • Tinker, Leonard L.; Bernhard, Stefan
    • Inorganic Chemistry, Vol. 48, Issue 22
    • DOI: 10.1021/ic900777g

    Discovery and High-Throughput Screening of Heteroleptic Iridium Complexes for Photoinduced Hydrogen Production
    journal, May 2005

    • Goldsmith, Jonas I.; Hudson, William R.; Lowry, Michael S.
    • Journal of the American Chemical Society, Vol. 127, Issue 20
    • DOI: 10.1021/ja0427101

    Highly Strained Iron(II) Polypyridines: Exploiting the Quintet Manifold To Extend the Lifetime of MLCT Excited States
    journal, February 2016

    • Shepard, Samuel G.; Fatur, Steven M.; Rappé, Anthony K.
    • Journal of the American Chemical Society, Vol. 138, Issue 9
    • DOI: 10.1021/jacs.5b13524

    Kinetic Studies of the Reduction of [Co(dmgH) 2 (py)(Cl)] Revisited: Mechanisms, Products, and Implications
    journal, June 2014

    • Kahnt, Axel; Peuntinger, Katrin; Dammann, Claudia
    • The Journal of Physical Chemistry A, Vol. 118, Issue 25
    • DOI: 10.1021/jp501947y

    Prediction of Iron K-Edge Absorption Spectra Using Time-Dependent Density Functional Theory
    journal, December 2008

    • DeBeer George, Serena; Petrenko, Taras; Neese, Frank
    • The Journal of Physical Chemistry A, Vol. 112, Issue 50
    • DOI: 10.1021/jp803174m

    Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
    journal, May 2009

    • Marenich, Aleksandr V.; Cramer, Christopher J.; Truhlar, Donald G.
    • The Journal of Physical Chemistry B, Vol. 113, Issue 18, p. 6378-6396
    • DOI: 10.1021/jp810292n

    Ultrafast Dynamics in the Metal-to-Ligand Charge Transfer Excited-State Evolution of [Ru(4,4‘-diphenyl-2,2‘-bipyridine) 3 ] 2+
    journal, October 1999

    • Damrauer, Niels H.; McCusker, James K.
    • The Journal of Physical Chemistry A, Vol. 103, Issue 42
    • DOI: 10.1021/jp9927754

    Exceptional Excited-State Lifetime of an Iron(II)– N -Heterocyclic Carbene Complex Explained
    journal, May 2014

    • Fredin, Lisa A.; Pápai, Mátyás; Rozsályi, Emese
    • The Journal of Physical Chemistry Letters, Vol. 5, Issue 12
    • DOI: 10.1021/jz500829w

    N-Heterocyclic Pincer Dicarbene Complexes of Iron(II):  C-2 and C-5 Metalated Carbenes on the Same Metal Center
    journal, January 2004

    • Danopoulos, Andreas A.; Tsoureas, Nikolaos; Wright, Joseph A.
    • Organometallics, Vol. 23, Issue 2
    • DOI: 10.1021/om0341911

    A low-spin Fe(iii) complex with 100-ps ligand-to-metal charge transfer photoluminescence
    journal, March 2017

    • Chábera, Pavel; Liu, Yizhu; Prakash, Om
    • Nature, Vol. 543, Issue 7647
    • DOI: 10.1038/nature21430

    Iron sensitizer converts light to electrons with 92% yield
    journal, October 2015

    • Harlang, Tobias C. B.; Liu, Yizhu; Gordivska, Olga
    • Nature Chemistry, Vol. 7, Issue 11
    • DOI: 10.1038/nchem.2365

    Development of supramolecular structure through alkylation of pendant pyridyl functionality
    journal, January 2000

    • Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus
    • Journal of the Chemical Society, Dalton Transactions, Issue 13
    • DOI: 10.1039/b000940g

    Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
    journal, January 2005

    • Weigend, Florian; Ahlrichs, Reinhart
    • Physical Chemistry Chemical Physics, Vol. 7, Issue 18, p. 3297-3305
    • DOI: 10.1039/b508541a

    Accurate Coulomb-fitting basis sets for H to Rn
    journal, January 2006

    • Weigend, Florian
    • Physical Chemistry Chemical Physics, Vol. 8, Issue 9
    • DOI: 10.1039/b515623h

    Progress towards solar-powered homogeneous water photolysis
    journal, January 2009

    • Tinker, Leonard L.; McDaniel, Neal D.; Bernhard, Stefan
    • Journal of Materials Chemistry, Vol. 19, Issue 21
    • DOI: 10.1039/b818112h

    Towards longer-lived metal-to-ligand charge transfer states of iron(ii) complexes: an N-heterocyclic carbene approach
    journal, January 2013

    • Liu, Yizhu; Harlang, Tobias; Canton, Sophie E.
    • Chemical Communications, Vol. 49, Issue 57
    • DOI: 10.1039/c3cc43833c

    A Facile Route to Sterically Hindered and Non-Hindered 4′-Aryl-2,2′:6′,2′′-Terpyridines
    journal, April 2005


    A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
    journal, April 2010

    • Grimme, Stefan; Antony, Jens; Ehrlich, Stephan
    • The Journal of Chemical Physics, Vol. 132, Issue 15
    • DOI: 10.1063/1.3382344

    Ligand manipulation of charge transfer excited state relaxation and spin crossover in [Fe(2,2′-bipyridine) 2 (CN) 2 ]
    journal, July 2017

    • Kjær, Kasper S.; Zhang, Wenkai; Alonso-Mori, Roberto
    • Structural Dynamics, Vol. 4, Issue 4
    • DOI: 10.1063/1.4985017