Laboratory photo-chemistry of pyrene clusters: an efficient way to form large PAHs

In this work, we study the photodissociation processes of small PAH clusters (e.g., pyrene clusters). The experiments are carried out using a quadrupole ion trap in combination with time-of-flight (QIT-TOF) mass spectrometry. The results show that pyrene clusters are converted into larger PAHs under the influence of a strong radiation field. Specifically, pyrene dimer cations (e.g., [C$_{16}$H$_{10}$$-$C$_{16}$H$_{9}$]$^+$ or C$_{32}$H$_{19}$$^+$), will photo-dehydrogenate and photo-isomerize to fully aromatic cations (PAHs) (e.g., C$_{32}$H$_{16}$$^+$) with laser irradiation. The structure of new formed PAHs and the dissociation energy for these reaction pathways are investigated with quantum chemical calculations. These studies provide a novel efficient evolution routes for the formation of large PAHs in the interstellar medium (ISM) in a bottom-up process that will counteract the top-down conversion of large PAHs into rings and chains, and provide a reservoir of large PAHs that can be converted into C$_{60}$ and other fullerenes and large carbon cages

Simulation Study on Material Property of Cantilever Piezoelectric Vibration Generator

Abstract: For increasing generating capacity of cantilever piezoelectric vibration generator with limited volume, relation between output voltage, inherent frequency and material parameter of unimorph, bimorph in series type and bimorph in parallel type piezoelectric vibration generator is analyzed respectively by mechanical model and finite element modeling. The results indicate PZT-4, PZT-5A and PZT-5H piezoelectric materials and stainless steel, nickel alloy substrate material should be firstly chosen. Copyright © 2014 IFSA Publishing, S. L

Laboratory gas-phase infrared spectra of two astronomically relevant PAH cations: diindenoperylene, C32_{32}H16_{16}+^+ and dicoronylene, C48_{48}H20_{20}+^+

The first gas-phase infrared spectra of two isolated astronomically relevant and large PAH cations - diindenoperylene (DIP) and dicoronylene (DC) - in the 530$-$1800 cm$^{-1}$ (18.9$-$5.6 $\mu$m) range - are presented. Vibrational band positions are determined for comparison to the aromatic infrared bands (AIBs). The spectra are obtained via infrared multiphoton dissociation (IRMPD) spectroscopy of ions stored in a quadrupole ion trap (QIT) using the intense and tunable radiation of the free electron laser for infrared experiments (FELIX). DIP$^{+}$ shows its main absorption peaks at 737 (13.57), 800 (12.50), 1001 (9.99), 1070 (9.35), 1115 (8.97), 1152 (8.68), 1278 (7.83), 1420 (7.04) and 1550 (6.45) cm$^{-1}$($\mu$m), in good agreement with DFT calculations that are uniformly scaled to take anharmonicities into account. DC$^+$ has its main absorption peaks at 853 (11.72), 876 (11.42), 1032 (9.69), 1168 (8.56), 1300 (7.69), 1427 (7.01) and 1566 (6.39) cm$^{-1}$($\mu$m), that also agree well with the scaled DFT results presented here. The DIP$^+$ and DC$^+$ spectra are compared with the prominent infrared features observed towards NGC 7023. This results both in matches and clear deviations. Moreover, in the 11.0$-$14.0 $\mu$m region, specific bands can be linked to CH out-of-plane (oop) bending modes of different CH edge structures in large PAHs. The molecular origin of these findings and their astronomical relevance are discussed

Laboratory photo-chemistry of covalently bonded fluorene clusters: observation of an interesting PAH bowl-forming mechanism

The fullerene C$_{60}$, one of the largest molecules identified in the interstellar medium (ISM), has been proposed to form top-down through the photo-chemical processing of large (more than 60 C-atoms) polycyclic aromatic hydrocarbon (PAH) molecules. In this article, we focus on the opposite process, investigating the possibility that fullerenes form from small PAHs, in which bowl-forming plays a central role. We combine laboratory experiments and quantum chemical calculations to study the formation of larger PAHs from charged fluorene clusters. The experiments show that with visible laser irradiation, the fluorene dimer cation - [C$_{13}$H$_{9}$$-$C$_{13}$H$_{9}$]$^+$ - and the fluorene trimer cation - [C$_{13}$H$_{9}$$-$C$_{13}$H$_{8}$$-$C$_{13}$H$_{9}$]$^+$ - undergo photo-dehydrogenation and photo-isomerization resulting in bowl structured aromatic cluster-ions, C$_{26}$H$_{12}$$^+$ and C$_{39}$H$_{20}$$^+$, respectively. To study the details of this chemical process, we employ quantum chemistry that allows us to determine the structures of the newly formed cluster-ions, to calculate the hydrogen loss dissociation energies, and to derive the underlying reaction pathways. These results demonstrate that smaller PAH clusters (with less than 60 C-atoms) can convert to larger bowled geometries that might act as building blocks for fullerenes, as the bowl-forming mechanism greatly facilitates the conversion from dehydrogenated PAHs to cages. Moreover, the bowl-forming induces a permanent dipole moment that - in principle - allows to search for such species using radio astronomy.Comment: 8 pages, 7 figures, accepte