نتایج جستجو برای: coronene

تعداد نتایج: 307  

2017
Joost M. Bakker Britta Redlich Alexander F. G. van der Meer Jos Oomens

The gas-phase infrared spectra of four polycyclic aromatic hydrocarbon (PAH) cations have been recorded in the 10–50μm (or 1000–200 cm−1) spectral range via IR multiple photon dissociation (IRMPD) spectroscopy. Ionized PAHs are formed by UV laser ionization in an effusive beam and subsequently irradiated with a single pulse of narrowband tunable infrared light produced by the Free-Electron Lase...

Journal: :Bulletin of the Chemical Society of Japan 1970

2016
Stéphanie Cazaux Leon Boschman Nathalie Rougeau Geert Reitsma Ronnie Hoekstra Dominique Teillet-Billy Sabine Morisset Marco Spaans Thomas Schlathölter

The understanding of hydrogen attachment to carbonaceous surfaces is essential to a wide variety of research fields and technologies such as hydrogen storage for transportation, precise localization of hydrogen in electronic devices and the formation of cosmic H2. For coronene cations as prototypical Polycyclic Aromatic Hydrocarbon (PAH) molecules, the existence of magic numbers upon hydrogenat...

Journal: :ACS nano 2014
Erlend R M Davidson Jiří Klimeš Dario Alfè Angelos Michaelides

The energetic barriers that atoms and molecules often experience when binding to surfaces are incredibly important to a myriad of chemical and physical processes. However, these barriers are difficult to describe accurately with current computer simulation approaches. Two prominent contemporary challenges faced by simulation are the role of van der Waals forces and nuclear quantum effects. Here...

Journal: :The Journal of chemical physics 2011
Alina P Sergeeva Boris B Averkiev Hua-Jin Zhai Alexander I Boldyrev Lai-Sheng Wang

We have investigated the structural and electronic properties of the B(17)(-) and B(18)(-) clusters using photoelectron spectroscopy (PES) and ab initio calculations. The adiabatic electron detachment energies of B(17)(-) and B(18)(-) are measured to be 4.23 ± 0.02 and 3.53 ± 0.05 eV, respectively. Calculated electron detachment energies are compared with experimental data, confirming the prese...

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