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Articles by Otto Dopfer
Charge Resonance Interaction in Aromatic Trimer Radical Cations Revealed by IR Spectroscopy: The Case of Pyrrole Homo- and Heterotrimers
1 Introduction Noncovalent intermolecular interactions involving aromatic π electrons, such as π-stacking and π-hydrogen bonds (π H-bonds), play a crucial role in determining the structures and properties of a vast number of biological and functional materials. Such aromatic interactions are vital for many chemical and biological processes, including protein folding, molecular recognition, molecular assembly, and crystal growth in both liquid and solid phases [1-17].
Competition between π-π and NH···π Interactions in Pyrrole+-Benzene and Pyrrole+-Toluene Radical Cations Revealed by IR Spectroscopy
3.1. Py+Bz The IRPD spectrum of Py + Bz exhibits three major peaks F, G, and Y at 3183, 3148, and 2915 cm –1 , respectively, with widths of 25–73 cm –1 , and one minor peak E observed at 3470 cm –1 .
Competition between π-π and NH···π Interactions in Pyrrole+-Benzene and Pyrrole+-Toluene Radical Cations Revealed by IR Spectroscopy
Special Issue Published as part of The Journal of Physical Chemistry A special issue “Michael A. Duncan Festschrift.” 1. Introduction Click to copy section linkSection link copied! Noncovalent interactions involving aromatic π-electrons, such as π-π stacking and π-hydrogen bonds (π H-bonds) are fundamental for many chemical and biological processes, including protein folding, molecular recognition, molecular assembly, and crystal growth in both liquid and solid phases.
Photoelectron Spectra of Functionalized Adamantanes
Photoelectron Spectra of Functionalized Adamantanes Diamondoids are a class of aliphatic molecules with cage-like structures and serve as a bridge between small hydrocarbons and large nanodiamond macromolecules. Because their optical properties are highly dependent on the size, shape, and functionalization of the carbon network, they have many applications in the fields of nanotechnology and spectroscopy.
IR spectrum of SiH3OH2+SiH4: Cationic OH…HSi Dihydrogen Bond versus Charge-Inverted SiH…Si Hydrogen Bond
IR spectrum of SiH3OH2+SiH4: Cationic OH…HSi Dihydrogen Bond versus Charge-Inverted SiH…Si Hydrogen Bond The low electronegativity of Si gives rise to a variety of nonconventional intermolecular interactions in clusters of silanes and their derivatives, which have not been well characterized yet.
Internal Energy Dependence of the Pyrrole Dimer Cation Structures Formed in a Supersonic Plasma Expansion: Charge-Resonance and Hydrogen-Bonded Isomers
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Infrared Spectra of SinH4n-1+ Ions (n=2-8): Inorganic H-(Si-H)n-1 Hydride Wires of Penta-Coordinated Si in 3c-2e and Charge-Inverted Hydrogen Bonds
Infrared Spectra of SinH4n-1+ Ions (n=2-8): Inorganic H-(Si-H)n-1 Hydride Wires of Penta-Coordinated Si in 3c-2e and Charge-Inverted Hydrogen Bonds SinHm+ cations are important constituents in silane plasmas and astrochemical environments. Protonated disilane (Si2H7+) was shown to have a symmetric three-centre two-electron (3c-2e) Si-H-Si bond that can also be considered as a strong ionic charge-inverted hydrogen bond with polarity Si+-H--Si+.
Transition from vehicle to Grotthuss proton transfer in a nanosized flask: Cryogenic ion spectroscopy of protonated p-aminobenzoic acid solvated with D2O
Transition from vehicle to Grotthuss proton transfer in a nanosized flask: Cryogenic ion spectroscopy of protonated p-aminobenzoic acid solvated with D2O Proton transfer (PT) is one of the most ubiquitous reactions in chemistry and life science. The unique nature of PT has been rationalized not by a transport of a solvated proton (vehicle mechanism) but by the Grotthuss mechanism in which a proton is transported to the nearest proton acceptor along a hydrogen-bonded network.
Infrared Spectrum of the 1-Cyanoadamantane Cation:Evidence of Hydrogen Transfer and Cage-Opening upon Ionization
Infrared Spectrum of the 1-Cyanoadamantane Cation:Evidence of Hydrogen Transfer and Cage-Opening upon Ionization Abstract The radical cations of diamondoids are important intermediates in their functionalization reactions and are also candidates as carriers for astronomical absorption and emission features. Although neutral diamondoids have been studied extensively, information regarding their radical cations is largely lacking, particularly for functionalized diamondoid derivatives.
Photochemical Properties of a Potential Interstellar Dust Precursor: The Electronic Spectrum of Si3O2+
Photochemical Properties of a Potential Interstellar Dust Precursor: The Electronic Spectrum of Si3O2+ Taarna Studemund, Kai Pollow, Marko Förstel and Otto Dopfer Abstract Silicon oxide compounds are considered as precursors for silicon-based interstellar dust grains which consist mainly of silica and silicates. Knowledge of their geometric, electronic, optical, and photochemical properties provides crucial input for astrochemical models describing the evolution of dust grains.
Hydration Rearrangement in the 4‐Aminobenzonitrile−(H2O)2 Cluster Induced by Photoionization: The Effect of Solvent‐Solvent Interactions
Graphical Abstract Hydration dynamics and the role of water-water interaction at the single-molecule level. Excess energy dependence of IR spectra of the isolated 4-aminobenzonitrile−(H2O)2 cluster reveals that photoionization initiates the migration of an intact water dimer from the CN site to the NH site.
Infrared Spectrum of the Adamantane+-Water Cation: Hydration‐Induced C−H Bond Activation and Free Internal Water Rotation
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Infrared Spectrum of the Adamantane+‐Water Cation: Hydration‐Induced C‐H Bond Activation and Free Internal Water Rotation
Research Article Otto Dopfer Corresponding Author E-mail address: dopfer@physik.tu-berlin.de TU Berlin, Institut fuer Optik und Atomare Physik, Hardenbergstr. 36, 10623 Berlin, GERMANY Search for more papers by this author Abstract Diamondoid cations are reactive intermediates in their functionalization reactions in polar solution. Hydration is predicted to strongly activate their C‐H bonds in initial proton abstraction reactions.
Going large(r): general discussion
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Optical Spectroscopy of the Au4+ Cluster: The Resolved Vibronic Structure Indicates an Unexpected Isomer
The full text of this article hosted at iucr.org is unavailable due to technical difficulties. Communication Optical Spectroscopy of the Au4+ Cluster: The Resolved Vibronic Structure Indicates an Unexpected Isomer Dr. Marko Förstel Corresponding Author E-mail address: markof@physik.tu-berlin.de http://orcid.org/0000-0002-3630-9494 Institut für Optik und Atomare Physik, Technische Universität Berlin, , 10623 Berlin, Germany Search for more papers by this author Prof.
Inside Cover: Aromatic Charge Resonance Interaction Probed by Infrared Spectroscopy (Angew. Chem. Int. Ed. 11/2019)
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Aromatic Charge Resonance Interaction Probed by Infrared Spectroscopy
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Effect of alkali ions on optical properties of flavins: Vibronic spectra of cryogenic M+lumiflavin ionic complexes (M=Li-Cs)
Effect of alkali ions on optical properties of flavins: Vibronic spectra of cryogenic M+lumiflavin ionic complexes (M=Li-Cs) David Müller, Pablo Nieto, Mitsuhiko Miyazaki and Otto Dopfer Abstract Flavin compounds are frequently used by nature in photochemical processes because of their unique optical properties which can be strongly modulated by the surrounding environment such as solvation or coordination with metal ions.
Optical spectroscopy of the Au4+ cluster: Resolved vibronic structure indicates an unexpected isomer**
The full text of this article hosted at iucr.org is unavailable due to technical difficulties.
Aromatic Charge Resonance Interaction Probed by Infrared Spectroscopy
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Aromatic Charge Resonance Interaction Probed by Infrared Spectroscopy
Charge resonance is a strong attractive intermolecular force in aromatic dimer radical ions. For cations, this stabilization arises from sharing a positive charge between two identical or different molecules (A2+ or AB+) with comparable ionization energies within the π‐stacked dimer. Despite its importance, this fundamental interaction has not been characterized at high resolution by spectroscopy of isolated dimers.
Corrigendum: IR Spectrum and Structure of Protonated Monosilanol: Dative Bonding between Water and the Silylium Ion
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IR Spectrum and Structure of Protonated Monosilanol: Dative Bonding between Water and the Silylium Ion**
We report the spectroscopic characterization of protonated monosilanol (SiH3OH2+) isolated in the gas phase, thus providing the first experimental determination of the structure and bonding of a member of the elusive silanole family. The SiH3OH2+ ion is generated in a silane/water plasma expansion, and its structure is derived from the IR photodissociation (IRPD) spectrum of its Ar cluster measured in a tandem mass spectrometer.
Microhydration of PAH+ cations: evolution of hydration network in naphthalene+-(H2O)n clusters (n ≤ 5)
The interaction of polycyclic aromatic hydrocarbon molecules with water (H2O=W) is of fundamental importance in chemistry and biology. Herein, size-selected microhydrated naphthalene cation nanoclusters, Np+-Wn (n?5), are characterized by infrared photodissociation (IRPD) spectroscopy in the CH and OH stretch range to follow the stepwise evolution of the hydration network around this prototypical PAH+ cation.
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