Publications

2024

• Fan Q., Ruan Z., Werner S., Naumann T., Bolat R., Martinez-Castro J., Koehler T., Vollgraff T., Hieringer W., Mandalia R., Neiß C., Görling A., Tautz FS., Sundermeyer J., Gottfried JM.:
  Bottom-up Synthesis and Characterization of Porous 12-Atom-Wide Armchair Graphene Nanoribbons
  In: Nano Letters (2024)
  ISSN: 1530-6984
  DOI: 10.1021/acs.nanolett.4c01106

2020

• Fan Q., Martin-Jimenez D., Werner S., Ebeling D., Koehler T., Vollgraff T., Sundermeyer J., Hieringer W., Schirmeisen A., Gottfried JM.:
  On-Surface Synthesis and Characterization of a Cycloarene: C108 Graphene Ring
  In: Journal of the American Chemical Society 142 (2020), p. 894-899
  ISSN: 1520-5126
  DOI: 10.1021/jacs.9b10151

2019

• Bauer U., Fromm L., Weiß C., Bachmann P., Späth F., Düll F., Steinhauer J., Hieringer W., Görling A., Hirsch A., Steinrück HP., Papp C.:
  Controlled Catalytic Energy Release of the Norbornadiene/Quadricyclane Molecular Solar Thermal Energy Storage System on Ni(111)
  In: Journal of Physical Chemistry C 123 (2019), p. 7654-7664
  ISSN: 1932-7447
  DOI: 10.1021/acs.jpcc.8b03746
• Fan Q., Martin-Jimenez D., Ebeling D., Krug CK., Brechmann L., Kohlmeyer C., Hilt G., Hieringer W., Schirmeisen A., Gottfried JM.:
  Nanoribbons with Nonalternant Topology from Fusion of Polyazulene: Carbon Allotropes beyond Graphene
  In: Journal of the American Chemical Society (2019)
  ISSN: 0002-7863
  DOI: 10.1021/jacs.9b08060
• Klein BP., Van Der Heijden NJ., Kachel SR., Franke M., Krug CK., Greulich KK., Ruppenthal L., Mueller P., Rosenow P., Parhizkar S., Bocquet FC., Schmid M., Hieringer W., Maurer RJ., Tonner R., Kumpf C., Swart I., Gottfried JM.:
  Molecular Topology and the Surface Chemical Bond: Alternant Versus Nonalternant Aromatic Systems as Functional Structural Elements
  In: Physical Review X 9 (2019), Article No.: 011030
  ISSN: 2160-3308
  DOI: 10.1103/PhysRevX.9.011030
• Späth F., Soni H., Steinhauer J., Düll F., Bauer U., Bachmann P., Hieringer W., Görling A., Steinrück HP., Papp C.:
  Oxygen Functionalization of Hexagonal Boron Nitride on Ni(111)
  In: Chemistry - A European Journal (2019)
  ISSN: 0947-6539
  DOI: 10.1002/chem.201901504

2018

• Palumbo CT., Halter D., Voora VK., Chen GP., Chan AK., Fieser ME., Ziller JW., Hieringer W., Furche F., Meyer K., Evans WJ.:
  Metal versus Ligand Reduction in Ln3+ Complexes of a Mesitylene-Anchored Tris(Aryloxide) Ligand
  In: Inorganic Chemistry 57 (2018), p. 2823-2833
  ISSN: 0020-1669
  DOI: 10.1021/acs.inorgchem.7b03236

2017

• Chen M., Shang J., Wang Y., Wu K., Kuttner J., Hilt G., Hieringer W., Gottfried JM.:
  On-Surface Synthesis and Characterization of Honeycombene Oligophenylene Macrocycles
  In: ACS nano 11 (2017), p. 134-143
  ISSN: 1936-0851
  DOI: 10.1021/acsnano.6b05709
• Lepper M., Köbl J., Schmitt T., Gurrath M., De Siervo A., Schneider MA., Steinrück HP., Meyer B., Marbach H., Hieringer W.:
  "Inverted'' porphyrins: a distorted adsorption geometry of free-base porphyrins on Cu(111)
  In: Chemical Communications 53 (2017), p. 8207-8210
  ISSN: 1359-7345
  DOI: 10.1039/c7cc04182a
• Pueyo Bellafont N., Vines F., Hieringer W., Illas F.:
  Predicting core level binding energies shifts: Suitability of the projector augmented wave approach as implemented in VASP
  In: Journal of Computational Chemistry 38 (2017), p. 518-522
  ISSN: 0192-8651
  DOI: 10.1002/jcc.24704
• Walter S., Spohr H., Franke R., Hieringer W., Wasserscheid P., Haumann M.:
  Detailed Investigation of the Mechanism of Rh-Diphosphite Supported Ionic Liquid Phase (SILP)-Catalyzed 1-Butene Hydroformylation in the Gas Phase via Combined Kinetic and Density Functional Theory (DFT) Modeling Studies
  In: ACS Catalysis 7 (2017), p. 1035-1044
  ISSN: 2155-5435
  DOI: 10.1021/acscatal.6b02315
• Zhang L., Lepper M., Stark MW., Menzel T., Lungerich D., Jux N., Hieringer W., Steinrück HP., Marbach H.:
  On the critical role of the substrate: the adsorption behaviour of tetrabenzoporphyrins on different metal surfaces
  In: Physical Chemistry Chemical Physics 19 (2017), p. 20281-20289
  ISSN: 1463-9076
  DOI: 10.1039/c7cp03731g
• Zugermeier M., Gruber M., Schmid M., Klein BP., Ruppenthal L., Mueller P., Einholz R., Hieringer W., Berndt R., Bettinger HF., Gottfried JM.:
  On-surface synthesis of heptacene and its interaction with a metal surface
  In: Nanoscale 9 (2017), p. 12461-12469
  ISSN: 2040-3364
  DOI: 10.1039/C7NR04157H

2016

• Hunter BM., Hieringer W., Winkler JR., Gray HB., Mueller AM.:
  Effect of interlayer anions on [NiFe]-LDH nanosheet water oxidation activity
  In: Energy and Environmental Science 9 (2016), p. 1734-1743
  ISSN: 1754-5692
  DOI: 10.1039/c6ee00377j
• Schmidt NA., Wenzel J., Dreuw A., Fink R., Hieringer W.:
  Matrix effects in the C 1s photoabsorption spectra of condensed naphthalene
  In: Journal of Chemical Physics 145 (2016), Article No.: 234307
  ISSN: 0021-9606
  DOI: 10.1063/1.4972013

2015

• Görling A., Hieringer W., Nikiforidis I.:
  A computational study on possible active species in nickel(II)-catalyzed 1-butene dimerization in [BMIM](+)[AlCl4](-) ionic liquid solution
  In: Journal of Coordination Chemistry 68 (2015), p. 3362-3373
  ISSN: 0095-8972
  DOI: 10.1080/00958972.2015.1075015
• Kaftan A., Schönweiz A., Nikiforidis I., Hieringer W., Dyballa KM., Franke R., Görling A., Libuda J., Wasserscheid P., Laurin M., Haumann M.:
  Supported homogeneous catalyst makes its own liquid phase
  In: Journal of Catalysis 321 (2015), p. 32-38
  ISSN: 0021-9517
  DOI: 10.1016/j.jcat.2014.10.019
• Lepper M., Zhang L., Stark MW., Ditze S., Lungerich D., Jux N., Hieringer W., Steinrück HP., Marbach H.:
  Role of Specific Intermolecular Interactions for the Arrangement of Ni(II)-5, 10, 15, 20-Tetraphenyltetrabenzoporphyrin on Cu(111)
  In: Journal of Physical Chemistry C 119 (2015), p. 19897-19905
  ISSN: 1932-7447
  DOI: 10.1021/acs.jpcc.5b05451
• Zhang L., Lepper M., Stark MW., Lungerich D., Jux N., Hieringer W., Steinrück HP., Marbach H.:
  Self-assembly and coverage dependent thermally induced conformational changes of Ni(II)-meso-tetrakis (4-tert-butylphenyl) benzoporphyrin on Cu(111)
  In: Physical Chemistry Chemical Physics 17 (2015), p. 13066-13073
  ISSN: 1463-9076
  DOI: 10.1039/c5cp01490e

2014

• Chen M., Xiao J., Steinrück HP., Wang S., Wang W., Lin N., Hieringer W., Gottfried JM.:
  Combined photoemission and scanning tunneling microscopy study of the surface-assisted ullmann coupling reaction
  In: Journal of Physical Chemistry C 118 (2014), p. 6820-6830
  ISSN: 1932-7447
  DOI: 10.1021/jp4121468
• Ditze S., Stark MW., Buchner F., Aichert A., Jux N., Luckas N., Görling A., Hieringer W., Hornegger J., Steinrück HP., Marbach H.:
  On the energetics of conformational switching of molecules at and close to room temperature
  In: Journal of the American Chemical Society 136 (2014), p. 1609-1616
  ISSN: 0002-7863
  DOI: 10.1021/ja411884p
• Fischer NV., Mitra U., Warnick KG., Dremov V., Stocker M., Wölfle T., Hieringer W., Heinemann FW., Burzlaff N., Görling A., Müller P.:
  High Resolution Scanning Tunneling Microscopy of a 1D Coordination Polymer with Imidazole-Based N,N,O Ligands on HOPG
  In: Chemistry - A European Journal 20 (2014), p. 11863-11869
  ISSN: 0947-6539
  DOI: 10.1002/chem.201302379
• Görling A., Bleiziffer P., Vines Solana F., Hieringer W., Gebhardt J.:
  Hydrogen storage on metal oxide model clusters using density-functional methods and reliable van der Waals corrections
  In: Physical Chemistry Chemical Physics 16 (2014), p. 5382-5392
  ISSN: 1463-9076
  DOI: 10.1039/c3cp54704c
• la Pierre HS., Scheurer A., Heinemann FW., Hieringer W., Meyer K.:
  Synthesis and Characterization of a Uranium(II) Monoarene Complex Supported by delta Backbonding
  In: Angewandte Chemie International Edition 126 (2014), p. 7286–7290
  ISSN: 1433-7851
  DOI: 10.1002/anie.201402050
  URL: http://onlinelibrary.wiley.com/doi/10.1002/anie.201402050/abstract
• la Pierre HS., Scheurer A., Heinemann FW., Hieringer W., Meyer K.:
  Synthesis and characterization of a uranium(II) monoarene complex supported by δ backbonding.
  In: Angewandte Chemie-International Edition 53 (2014), p. 7158-7162
  ISSN: 1433-7851
  DOI: 10.1002/anie.201402050

2013

• Amende M., Schernich S., Sobota M., Nikiforidis I., Hieringer W., Assenbaum D., Gleichweit C., Drescher HJ., Papp C., Steinrück HP., Görling A., Wasserscheid P., Laurin M., Libuda J.:
  Dehydrogenation mechanism of liquid organic hydrogen carriers: Dodecahydro-N-ethylcarbazole on Pd(111)
  In: Chemistry - A European Journal 19 (2013), p. 10854-10865
  ISSN: 0947-6539
  DOI: 10.1002/chem.201301323
• Ballmann SD., Hieringer W., Härtle R., Brana Coto P., Bryce M., Görling A., Thoss M., Weber HB.:
  The role of vibrations in single-molecule charge transport: A case study of oligoynes with pyridine anchor groups
  In: physica status solidi (b) 250 (2013), p. 2452-2457
  ISSN: 0370-1972
  DOI: 10.1002/pssb.201350025
• Fan Q., Wang C., Han Y., Zhu J., Hieringer W., Kuttner J., Hilt G., Gottfried JM.:
  Surface-Assisted Organic Synthesis of Hyperbenzene Nanotroughs
  In: Angewandte Chemie International Edition 52 (2013), p. 4668-4672
  ISSN: 1433-7851
  DOI: 10.1002/anie.201300610
• Franke S., Tran BL., Heinemann FW., Hieringer W., Mindiola DJ., Meyer K.:
  Uranium(III) complexes with bulky aryloxide ligands featuring metal-arene interactions and their reactivity toward nitrous oxide
  In: Inorganic Chemistry 52 (2013), p. 10552-10558
  ISSN: 0020-1669
  DOI: 10.1021/ic401532j
• Schulz H., Görling A., Hieringer W.:
  Mechanisms of the water-gas shift reaction catalyzed by ruthenium pentacarbonyl: A density functional theory study
  In: Inorganic Chemistry 52 (2013), p. 4786-4794
  ISSN: 0020-1669
  DOI: 10.1021/ic301539q

2012

• Lam OP., Franke S., Nakai H., Heinemann FW., Hieringer W., Meyer K.:
  Observation of the inverse trans influence (ITI) in a uranium(V) imide coordination complex: An experimental study and theoretical evaluation
  In: Inorganic Chemistry 51 (2012), p. 6190-6199
  ISSN: 0020-1669
  DOI: 10.1021/ic300273d
• Sobota M., Schernich S., Schulz H., Hieringer W., Paape N., Wasserscheid P., Görling A., Laurin M., Libuda J.:
  Preparation and characterization of ultrathin [Ru(CO) 3Cl 2] 2 and [BMIM][Tf 2N] films on Al 2O 3/NiAl(110) under UHV conditions
  In: Physical Chemistry Chemical Physics 14 (2012), p. 10603-10612
  ISSN: 1463-9076
  DOI: 10.1039/c2cp40697g

2011

• Hieringer W., Flechtner K., Kretschmann A., Seufert K., Auswärter W., Barth JV., Görling A., Steinrück HP., Gottfried M.:
  The surface trans effect: Influence of axial ligands on the surface chemical bonds of adsorbed metalloporphyrins
  In: Journal of the American Chemical Society 133 (2011), p. 6206-6222
  ISSN: 0002-7863
  DOI: 10.1021/ja1093502
• Nikiforidis I., Görling A., Hieringer W.:
  On the regioselectivity of the insertion step in nickel complex catalyzed dimerization of butene: A density-functional study
  In: Journal of Molecular Catalysis A-Chemical 341 (2011), p. 63-70
  ISSN: 1381-1169
  DOI: 10.1016/j.molcata.2011.03.025
• Schmid M., Hieringer W., Schmitz CH., Steinrück HP., Sokolowski M., Gottfried M.:
  Adsorption and reaction of terephthaloyl chloride on Ag(111): X-ray photoelectron spectroscopy and density functional theory investigations
  In: Journal of Physical Chemistry C 115 (2011), p. 14869-14875
  ISSN: 1932-7447
  DOI: 10.1021/jp2033017
• Schmidt NA., Hub C., Gnichwitz JF., Hieringer W., Hirsch A., Fink R.:
  Structure, morphology and interface properties of ultrathin SnTTBPP(OH)2-films adsorbed on Ag(100)
  In: Physical Chemistry Chemical Physics 13 (2011), p. 9839-9848
  ISSN: 1463-9076
  DOI: 10.1039/c1cp20340a
• Scholz J., Loekman S., Szesni N., Hieringer W., Görling A., Haumann M., Wasserscheid P.:
  Ethene-induced temporary inhibition of grubbs metathesis catalysts
  In: dvanced Synthesis & Catalysis 353 (2011), p. 2701-2707
  ISSN: 0941-1216
  DOI: 10.1002/adsc.201100509
• Sobota M., Nikiforidis I., Amende M., Sanmartίn Zanón B., Staudt T., Höfert O., Lykhach Y., Papp C., Hieringer W., Laurin M., Assenbaum D., Wasserscheid P., Steinrück HP., Görling A., Libuda J.:
  Dehydrogenation of Dodecahydro-N-ethylcarbazole on Pd/Al2O3 Model Catalysts
  In: Chemistry - A European Journal 17 (2011), p. 11542-11552
  ISSN: 0947-6539
  DOI: 10.1002/chem.201101311

2010

• Ballmann S., Hieringer W., Secker D., Zheng Q., Gladysz JA., Görling A., Weber HB.:
  Molecular wires in single-molecule junctions: Charge transport and vibrational excitations
  In: ChemPhysChem 11 (2010), p. 2256-2260
  ISSN: 1439-4235
  DOI: 10.1002/cphc.200900974
• Buchner F., Kellner I., Hieringer W., Görling A., Steinrück HP., Marbach H.:
  Ordering aspects and intramolecular conformation of tetraphenylporphyrins on Ag(111)
  In: Physical Chemistry Chemical Physics 12 (2010), p. 13082-13090
  ISSN: 1463-9076
  DOI: 10.1039/c004551a
• Schmidt NA., Fink R., Hieringer W.:
  Assignment of near-edge x-ray absorption fine structure spectra of metalloporphyrins by means of time-dependent density-functional calculations
  In: Journal of Chemical Physics 133 (2010), Article No.: 054703
  ISSN: 0021-9606
  DOI: 10.1063/1.3435349
• Sobota M., Nikiforidis I., Hieringer W., Paape N., Happel M., Steinrück HP., Görling A., Wasserscheid P., Laurin M., Libuda J.:
  Toward ionic-liquid-based model catalysis: Growth, orientation, conformation, and interaction mechanism of the [Tf2N]- anion in [BMIM][Tf2N] thin films on a well-ordered alumina surface
  In: Langmuir 26 (2010), p. 7199-7207
  ISSN: 0743-7463
  DOI: 10.1021/la904319h

2009

• Buchner F., Warnick KG., Wölfle T., Görling A., Steinrück HP., Hieringer W., Marbach H.:
  Chemical fingerprints of large organic molecules in scanning tunneling microscopy: Imaging adsorbate-substrate coupling of metalloporphyrins
  In: Journal of Physical Chemistry C 113 (2009), p. 16450-16457
  ISSN: 1932-7447
  DOI: 10.1021/jp904680c
• Zhu J., Bebensee F., Hieringer W., Zhao W., Baricuatro JH., Farmer JA., Bai Y., Steinrück HP., Gottfried M., Campbell CT.:
  Formation of the calcium/poly(3-hexylthiophene) interface: Structure and energetics
  In: Journal of the American Chemical Society 131 (2009), p. 13498-13507
  ISSN: 0002-7863
  DOI: 10.1021/ja904844c

2008

• Bai Y., Flechtner K., Marbach H., Buchner F., Hieringer W., Görling A., Shubina T., Clark T., Steinrück HP., Gottfried M.:
  COLL 106-Surface chemistry with metalloporphyrins and metallophthalocyanines: Formation, structure, and reactivity
  In: ACS National Meeting Book of Abstracts 236 (2008)
  ISSN: 0065-7727
• Quintiliani M., Kahnt A., Wölfle T., Hieringer W., Vázquez P., Görling A., Guldi DM., Torres T.:
  Synthesis and photoinduced electron-transfer properties of phthalocyanine-[60]fullerene conjugates.
  In: Chemistry - A European Journal 14 (2008), p. 3765-3775
  ISSN: 0947-6539
  DOI: 10.1002/chem.200701700
• Wölfle T., Hieringer W., Görling A.:
  Conformational flexibility of metalloporphyrins studied by density-functional calculations
  In: Physical Chemistry Chemical Physics 10 (2008), p. 5739-5742
  ISSN: 1463-9076
  DOI: 10.1039/b800566b

2006

• Hieringer W., Görling A.:
  Failure of time-dependent density functional methods for excitations in spatially separated systems
  In: Chemical Physics Letters 419 (2006), p. 557-562
  ISSN: 0009-2614
  DOI: 10.1016/j.cplett.2005.11.112
• Hieringer W., Görling A.:
  Reply to Comment on 'Failure of time-dependent density functional methods for excitations in spatially separated systems' by Andreas Dreuw and Martin Head-Gordon
  In: Chemical Physics Letters 426 (2006), p. 234-236
  ISSN: 0009-2614
  DOI: 10.1016/j.cplett.2006.05.078

2005

• Le Guennic B., Hieringer W., Görling A., Autschbach J.:
  Density functional calculation of the electronic circular dichroism spectra of the transition metal complexes [M(phen) 3] 2+ (M = Fe, Ru, Os)
  In: Journal of Physical Chemistry A 109 (2005), p. 4836-4846
  ISSN: 1520-5215
  DOI: 10.1021/jp0444363
• Weimer M., Hieringer W., Della Sala F., Görling A.:
  Electronic and optical properties of functionalized carbon chains with the localized Hartree-Fock and conventional Kohn-Sham methods
  In: Chemical Physics 309 (2005), p. 77-87
  ISSN: 0301-0104
  DOI: 10.1016/j.chemphys.2004.05.026

2004

• Hieringer W., Della Sala F., Görling A.:
  Density-functional calculations of NMR shielding constants using the localized Hartree-Fock method
  In: Chemical Physics Letters 383 (2004), p. 115-121
  ISSN: 0009-2614
  DOI: 10.1016/j.cplett.2003.10.139
• Kossev I., Fahrenholz S., Görling A., Hieringer W., Schalley C., Sokolowski M.:
  STM investigations on a tetralactam macrocycle adsorbed on Au(1 1 1) and Cu(1 1 1) surfaces
  In: Synthetic Metals 147 (2004), p. 159-164
  ISSN: 0379-6779
  DOI: 10.1016/j.synthmet.2004.06.053