Spectroscopy, dynamics and structures of jet formed anthracene clusters

Piuzzi, F.; Dimicoli, I.; Mons, Michel; Millié, P.; Brenner, V.; Zhao, Qingchun; Soep, B.; Tramer, A.

doi:10.1016/s0301-0104(01)00534-1

Cited by 54 publications

(67 citation statements)

References 50 publications

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“…Secondly, the model should account for charge delocalization, the missing electron being able to hop between neighbouring molecules. In homogeneous molecular systems, the charge is not restricted to be carried by a single PAH, but may extend over several units, typically between two and four (Piuzzi et al 2002). This phenomenon is known as charge resonance.…”

Section: Resultsmentioning

confidence: 99%

“…Based on previous theoretical calculations on small singly charged clusters of aromatic molecules such as benzene, naphtalene or anthracene (Piuzzi et al 2002;Bouvier et al 2002), cationic clusters are expected to be significantly more stable than their neutral counterparts from the energetic point of view. This increased stability reflects the charge delocalization over several molecules in the cluster, a collective effect which cannot be described using simple explicit potentials.…”

Section: Effects Of Ionizationmentioning

confidence: 99%

“…Small clusters of PAH molecules have been studied by several authors in the past, both experimentally (Benharash et al 1999;Song et al 2003;Piuzzi et al 2002;Miller et al 1984) and theoretically (van de Waal 1983;Gonzales & Lim 1999;Marzec 2000;Piuzzi et al 2002;Grimme 2004). Most of these studies have focused on rather small species, usually containing no more than a few tens of carbon atoms, far below the limit of 400 carbon atoms per VSG as suggested by Rapacioli et al (2005b).…”

Section: Introductionmentioning

confidence: 99%

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Formation and destruction of polycyclic aromatic hydrocarbon clusters in the interstellar medium

Rapacioli¹,

Calvo

Joblin³

et al. 2006

A&A

139

145

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Aims. The competition between the formation and destruction of coronene clusters under interstellar conditions is investigated theoretically. Methods. The unimolecular nucleation of neutral clusters is simulated with an atomic model combining an explicit classical force field and a quantum tight-binding approach. Evaporation rates are calculated in the framework of the phase space theory and are inserted in an infrared emission model and compared with the growth rate constants. Results. It is found that, in interstellar conditions, most collisions lead to cluster growth. The time evolution of small clusters (containing up to 312 carbon atoms) was specifically investigated under the physical conditions of the northern photodissociation region of NGC 7023. These clusters are found to be thermally photoevaporated much faster than they are reformed, thus providing an interpretation for the lowest limit of the interstellar cluster size distribution inferred from observations. The effects of ionizing the clusters and density heterogeneities are also considered. Based on our results, the possibility that PAH clusters could be formed in PDRs is critically discussed.

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Section: Resultsmentioning

confidence: 99%

Section: Effects Of Ionizationmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Formation and destruction of polycyclic aromatic hydrocarbon clusters in the interstellar medium

Rapacioli¹,

Calvo

Joblin³

et al. 2006

A&A

139

145

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“…It exhibits a series of equally spaced peaks that are readily assigned to cationic coronene clusters (C 24 H 12 ) + n , with n varying from 1 to 13. Previous studies have reported observations of small PAH clusters up to the size of anthracene (Piuzzi et al 2002;Mitsui et al 2004, and references therein). Duncan et al (1999) have reported about the formation in a laser ablation puled nozzle source of coronene clusters made of a few coronene units.…”

Section: Cold Coronene Cluster Distributionmentioning

confidence: 95%

Photoinduced products from cold coronene clusters

Bréchignac¹,

Schmidt

Masson

et al. 2005

A&A

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Free cold pure coronene clusters have been formed in a gas aggregation source and irradiated with excimer laser pulses. Analysis of the photoproducts thanks to a reflectron time-of-flight mass spectrometer showed that new ionic compounds are formed. These species may include Polycyclic Aromatic Hydrocarbons (PAHs) larger than coronene, PAH-coronene clusters, as well as coronene clusters branched with unsaturated aliphatic chains. The relevance of these results in the context of interstellar medium chemistry, and in particular the carriers of the so-called aromatic infrared emission bands (AIBs), is discussed.

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“…Thus, it is generally difficult to produce sufficient amounts of their large clusters to implement size-selective spectroscopic investigations. Indeed, almost all previous experimental studies of PAH clusters [41][42][43][44][45] have been limited to the size range of n 10. Second, due to the significant improvements in ab initio and density functional theory (DFT) algorithms and rapid progress in computational capability, acceptably accurate theoretical calculations have become available even for larger aggregation systems.…”

mentioning

confidence: 99%

Formation of Large Molecular Cluster Anions and Elucidation of Their Electronic Structures

Mitsui¹,

Nakajima²

2007

Bulletin of the Chemical Society of Japan

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The present account describes our efforts to understand the microscopic aspects of condense phase phenomena, such as ion solvation in molecular liquids and charge carrier localization in molecular solids, by viewing finite-size molecular clusters as their embryonic forms. In this effort, we efficiently prepared supersonically cooled, isolated molecular cluster anions with up to more than 100 constituent molecules and size-selectively investigated their electronic structures using anion photoelectron spectroscopy. Large anionic clusters of two different types of organic molecule; acetonitrile and naphthalene reported as examples of the noteworthy results obtained in our studies. In these two systems, we found that energetically close anionic isomers coexist over a broad range in size, and their contribution in the photoelectron spectra could be separated using anion beam hole-burning technique. A detailed inspection into the electronic states and size-dependent energetics of each isomer has enabled us to establish a link from the large finite cluster to the infinite bulk system. Molecular clusters are finite aggregates consisting of 2-10 4 molecules and have been regarded as an excellent model system to use for gaining profound insights into weak noncovalent interactions, which play a predominant role in determining the structures and properties of molecular assemblies in chemistry, biology, and soft-material science. In molecular clusters, most of the properties originate from weakly perturbed, easily recognized, and well-defined units. Additionally, the finite number of molecules in the gas phase under collisionfree conditions makes a theoretical treatment much easier than that of bulk liquids and solids. Over the last two decades, therefore, intensive experimental and theoretical studies on molecular clusters have been performed, and a large number of review articles on the spectroscopic study of molecular clusters have been published in last twenty years.

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Spectroscopy, dynamics and structures of jet formed anthracene clusters

Cited by 54 publications

References 50 publications

Formation and destruction of polycyclic aromatic hydrocarbon clusters in the interstellar medium

Formation and destruction of polycyclic aromatic hydrocarbon clusters in the interstellar medium

Photoinduced products from cold coronene clusters

Formation of Large Molecular Cluster Anions and Elucidation of Their Electronic Structures

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