List of works - Ralf Tonner

A DFT-D study of structural and energetic properties of TiO2 modifications

scientific article published on 03 October 2012

A periodic energy decomposition analysis method for the investigation of chemical bonding in extended systems

scientific article published on May 2015

A quantum chemical study on gas phase decomposition pathways of triethylgallane (TEG, Ga(C2H5)3) and tert-butylphosphine (TBP, PH2(t-C4H9)) under MOVPE conditions

scientific article

A systematic study of rare gas atoms encapsulated in small fullerenes using dispersion corrected density functional theory

scientific article published on 01 January 2015

An experimental and computational study on isomerically pure, soluble azaphthalocyanines and their complexes and boron azasubphthalocyanines of a varying number of aza units

scientific article published on 01 September 2018

Are carbodiphosphoranes better ligands than N-heterocyclic carbenes for Grubb's catalysts?

scientific article published on 27 February 2008

C(NHC)2: divalent carbon(0) compounds with N-heterocyclic carbene ligands-theoretical evidence for a class of molecules with promising chemical properties

scientific article published on 01 January 2007

Carbodicarbenes and related divalent carbon(0) compounds

scientific article published on 01 September 2010

Carbodiphosphorane analogues E(PPh3)2 with E=C-Pb: a theoretical study with implications for ligand design

scientific article published on 11 January 2012

Carbodiphosphoranes: The Chemistry of Divalent Carbon(0)

scholarly article by Ralf Tonner et al published 4 December 2006 in Angewandte Chemie International Edition

Chemisorption of a Strained but Flexible Molecule: Cyclooctyne on Si(001).

scientific article published on 24 January 2017

Click Chemistry in Ultra‐high Vacuum – Tetrazine Coupling with Methyl Enol Ether Covalently Linked to Si(001)

scientific article published in 2021

Comparison of the periodic slab approach with the finite cluster description of metal-organic interfaces at the example of PTCDA on Ag(110).

scientific article published on 5 February 2018

Complex surface chemistry of an otherwise inert solvent molecule: tetrahydrofuran on Si(001)

scientific article published on 22 September 2014

Conditional Singlet Oxygen Generation through a Bioorthogonal DNA-targeted Tetrazine Reaction

scientific article published on 12 August 2019

Correction to “Vibrational Davydov Splittings and Collective Mode Polarizations in Oriented Organic Semiconductor Crystals”

scholarly article published in Journal of Physical Chemistry C

Cover Feature: Click Chemistry in Ultra‐high Vacuum – Tetrazine Coupling with Methyl Enol Ether Covalently Linked to Si(001) (Chem. Eur. J. 31/2021)

scientific article published in 2021

Cover Picture: Conditional Singlet Oxygen Generation through a Bioorthogonal DNA‐targeted Tetrazine Reaction (Angew. Chem. Int. Ed. 37/2019)

scientific article published in 2019

Dispersion-mediated steering of organic adsorbates on a precovered silicon surface

article

Divalent carbon(0) chemistry, part 1: Parent compounds.

scientific article published in January 2008

Divalent carbon(0) chemistry, part 2: Protonation and complexes with main group and transition metal Lewis acids

scientific article published on 01 January 2008

Divalent carbon(0) compounds

Efficient hierarchical models for reactivity of organic layers on semiconductor surfaces

scientific article published on 22 February 2021

Electron-Vibron Coupling at Metal-Organic Interfaces from Theory and Experiment ⬇️

scientific article published on 05 April 2016

Ethers on Si(001): A Prime Example for the Common Ground between Surface Science and Molecular Organic Chemistry.

scientific article

Experimental and theoretical studies of carbodiphosphorane-CX2 adducts with unusual bonding situations: preparation, crystal structures, and bonding analyses of S2CC(PPh3)2, O2CC(PPh3)2, and [(CO)4MS2CC(PPh3)2] (M = Cr, Mo, W)

scientific article published on 01 March 2005

Extent of hydrogen coverage of Si(001) under chemical vapor deposition conditions from ab initio approaches

scientific article published on 01 May 2016

First and second proton affinities of carbon bases

scientific article published on 01 July 2008

Formation of an Organic/Metal Interface State from a Shockley Resonance.

scientific article

From small fullerenes to the graphene limit: A harmonic force-field method for fullerenes and a comparison to density functional calculations for Goldberg-Coxeter fullerenes up to C980

scientific article published on 26 March 2015

Gas Phase Chemistry of Trimethylboron in Thermal Chemical Vapor Deposition

Gas phase chemical vapor deposition chemistry of triethylboron probed by boron–carbon thin film deposition and quantum chemical calculations

article by Mewlude Imam et al published 2015 in Journal of Materials Chemistry C

Lewis Acids as Activators in CBS-Catalysed Diels-Alder Reactions: Distortion Induced Lewis Acidity Enhancement of SnCl4

scientific article published on 05 August 2016

Molecular electrostatic potentials of divalent carbon(0) compounds

scientific article published on 10 March 2008

Molecular structure and vibrations of NTCDA monolayers on Ag(111) from density-functional theory and infrared absorption spectroscopy

scientific article published on 01 February 2016

New bonding modes of carbon and heavier group 14 atoms Si-Pb

scientific article

Packed to the rafters: filling up C60 with rare gas atoms

scientific article published on 07 June 2011

Precursor States of Organic Adsorbates on Semiconductor Surfaces are Chemisorbed and Immobile

scientific article published on 7 November 2016

Site-Specific Reactivity of Ethylene at Distorted Dangling-Bond Configurations on Si(001).

scientific article published on 29 November 2016

Solvent-Induced Bond-Bending Isomerism in Hexaphenyl Carbodiphosphorane: Decisive Dispersion Interactions in the Solid State

scientific article published on 21 August 2020

Spin-orbit split two-dimensional states of BiTeI/Au(1 1 1) interfaces

scientific article published on 18 February 2019

Structure and properties of the nonface-spiral fullerenes T-C₃₈₀, D₃-C₃₈₄, D₃-C₄₄₀, and D₃-C₆₇₂ and their halma and leapfrog transforms

scientific article published on 17 December 2013

Structure and vibrational properties of the PTCDA/Ag(1 1 1) interface: bilayer versus monolayer

scientific article published on 24 July 2018

Surface Chemistry of tert-Butylphosphine (TBP) on Si(001) in the Nucleation Phase of Thin-Film Growth.

scientific article published on 30 August 2016

Synthesis of a two-dimensional organic-inorganic bismuth iodide metalate through in situ formation of iminium cations

scientific article published on 01 December 2019

Ternary Iodido Bismuthates and the Special Role of Copper

scientific article published on 26 December 2017

The dimeric nature of bonding in gallium: from small clusters to the α-gallium phase

scientific article published on 01 November 2014

The six-bond bound

scientific article published in Nature

Theoretical investigations into the enantiomeric and racemic forms of α-(trifluoromethyl)lactic acid

scientific article published on 14 October 2010

Towards J/mol Accuracy for the Cohesive Energy of Solid Argon

scientific article

Understanding the regioselectivity in Scholl reactions for the synthesis of oligoarenes

scientific article published on 14 November 2011

Vibrational Davydov Splittings and Collective Mode Polarizations in Oriented Organic Semiconductor Crystals

[{(PhSn)3SnS6}{(MCp)3S4}] (M = W, Mo): Minimal Molecular Models of the Covalent Attachment of Metal Chalcogenide Clusters on Doped Transition Metal Dichalcogenide Layers

scientific article published on 07 October 2019

β-Hydrogen Elimination Mechanism in the Absence of Low-Lying Acceptor Orbitals in EH2(t-C4H9) (E = N-Bi)

scientific article published on 22 June 2015

π-Bonding in Complexes of Benzannulated Biscarbenes, -germylenes, and -stannylenes: An Experimental and Theoretical Study

scientific article published on 01 January 2008

List of works by Ralf Tonner

A DFT-D study of structural and energetic properties of TiO2 modifications

A periodic energy decomposition analysis method for the investigation of chemical bonding in extended systems

A quantum chemical study on gas phase decomposition pathways of triethylgallane (TEG, Ga(C2H5)3) and tert-butylphosphine (TBP, PH2(t-C4H9)) under MOVPE conditions

A systematic study of rare gas atoms encapsulated in small fullerenes using dispersion corrected density functional theory

An experimental and computational study on isomerically pure, soluble azaphthalocyanines and their complexes and boron azasubphthalocyanines of a varying number of aza units

Are carbodiphosphoranes better ligands than N-heterocyclic carbenes for Grubb's catalysts?

C(NHC)2: divalent carbon(0) compounds with N-heterocyclic carbene ligands-theoretical evidence for a class of molecules with promising chemical properties

Carbodicarbenes and related divalent carbon(0) compounds

Carbodiphosphorane analogues E(PPh3)2 with E=C-Pb: a theoretical study with implications for ligand design

Carbodiphosphoranes: The Chemistry of Divalent Carbon(0)

Chemisorption of a Strained but Flexible Molecule: Cyclooctyne on Si(001).

Click Chemistry in Ultra‐high Vacuum – Tetrazine Coupling with Methyl Enol Ether Covalently Linked to Si(001)

Comparison of the periodic slab approach with the finite cluster description of metal-organic interfaces at the example of PTCDA on Ag(110).

Complex surface chemistry of an otherwise inert solvent molecule: tetrahydrofuran on Si(001)

Conditional Singlet Oxygen Generation through a Bioorthogonal DNA-targeted Tetrazine Reaction

Correction to “Vibrational Davydov Splittings and Collective Mode Polarizations in Oriented Organic Semiconductor Crystals”

Cover Feature: Click Chemistry in Ultra‐high Vacuum – Tetrazine Coupling with Methyl Enol Ether Covalently Linked to Si(001) (Chem. Eur. J. 31/2021)

Cover Picture: Conditional Singlet Oxygen Generation through a Bioorthogonal DNA‐targeted Tetrazine Reaction (Angew. Chem. Int. Ed. 37/2019)

Dispersion-mediated steering of organic adsorbates on a precovered silicon surface

Divalent carbon(0) chemistry, part 1: Parent compounds.

Divalent carbon(0) chemistry, part 2: Protonation and complexes with main group and transition metal Lewis acids

Divalent carbon(0) compounds

Efficient hierarchical models for reactivity of organic layers on semiconductor surfaces

Electron-Vibron Coupling at Metal-Organic Interfaces from Theory and Experiment ⬇️

Ethers on Si(001): A Prime Example for the Common Ground between Surface Science and Molecular Organic Chemistry.

Experimental and theoretical studies of carbodiphosphorane-CX2 adducts with unusual bonding situations: preparation, crystal structures, and bonding analyses of S2CC(PPh3)2, O2CC(PPh3)2, and [(CO)4MS2CC(PPh3)2] (M = Cr, Mo, W)

Extent of hydrogen coverage of Si(001) under chemical vapor deposition conditions from ab initio approaches

First and second proton affinities of carbon bases

Formation of an Organic/Metal Interface State from a Shockley Resonance.

From small fullerenes to the graphene limit: A harmonic force-field method for fullerenes and a comparison to density functional calculations for Goldberg-Coxeter fullerenes up to C980

Gas Phase Chemistry of Trimethylboron in Thermal Chemical Vapor Deposition

Gas phase chemical vapor deposition chemistry of triethylboron probed by boron–carbon thin film deposition and quantum chemical calculations

Lewis Acids as Activators in CBS-Catalysed Diels-Alder Reactions: Distortion Induced Lewis Acidity Enhancement of SnCl4

Molecular electrostatic potentials of divalent carbon(0) compounds

Molecular structure and vibrations of NTCDA monolayers on Ag(111) from density-functional theory and infrared absorption spectroscopy

New bonding modes of carbon and heavier group 14 atoms Si-Pb

Packed to the rafters: filling up C60 with rare gas atoms

Precursor States of Organic Adsorbates on Semiconductor Surfaces are Chemisorbed and Immobile

Site-Specific Reactivity of Ethylene at Distorted Dangling-Bond Configurations on Si(001).

Solvent-Induced Bond-Bending Isomerism in Hexaphenyl Carbodiphosphorane: Decisive Dispersion Interactions in the Solid State

Spin-orbit split two-dimensional states of BiTeI/Au(1 1 1) interfaces

Structure and properties of the nonface-spiral fullerenes T-C₃₈₀, D₃-C₃₈₄, D₃-C₄₄₀, and D₃-C₆₇₂ and their halma and leapfrog transforms

Structure and vibrational properties of the PTCDA/Ag(1 1 1) interface: bilayer versus monolayer

Surface Chemistry of tert-Butylphosphine (TBP) on Si(001) in the Nucleation Phase of Thin-Film Growth.

Synthesis of a two-dimensional organic-inorganic bismuth iodide metalate through in situ formation of iminium cations

Ternary Iodido Bismuthates and the Special Role of Copper

The dimeric nature of bonding in gallium: from small clusters to the α-gallium phase

The six-bond bound

Theoretical investigations into the enantiomeric and racemic forms of α-(trifluoromethyl)lactic acid

Towards J/mol Accuracy for the Cohesive Energy of Solid Argon

Understanding the regioselectivity in Scholl reactions for the synthesis of oligoarenes

Vibrational Davydov Splittings and Collective Mode Polarizations in Oriented Organic Semiconductor Crystals

[{(PhSn)3SnS6}{(MCp)3S4}] (M = W, Mo): Minimal Molecular Models of the Covalent Attachment of Metal Chalcogenide Clusters on Doped Transition Metal Dichalcogenide Layers

β-Hydrogen Elimination Mechanism in the Absence of Low-Lying Acceptor Orbitals in EH2(t-C4H9) (E = N-Bi)

π-Bonding in Complexes of Benzannulated Biscarbenes, -germylenes, and -stannylenes: An Experimental and Theoretical Study