Hydrogen-adduction to open-shell graphene fragments: spectroscopy, thermochemistry and astrochemistry

Abstract

H-Adducted graphene fragments are interrogated with lasers, revealing excited state bond dissociation energies and ionization energies.

PAH Growth in Flames and Space: Formation of the Phenalenyl Radical

“…The species at m / z 165 is assigned to the phenalenyl radical, C 13 H 9 , resulting from net CH addition to ACYN. The peak at m / z 166 is assigned to 1H-phenalene, C 13 H 10 . The other significant ion signal in this cluster is at m / z 168, which corresponds to the addition of CH 4 to ACYN, resulting in a molecular formula of C 13 H 12 .…”

“…The peak at m/z 166 is assigned to 1H-phenalene, C 13 H 10 . 48 The other significant ion signal in this cluster is at m/z 168, which corresponds to the addition of CH 4 to ACYN, resulting in a molecular formula of C 13 H 12 . A likely suspect is a species similar to 1H-phenalene but with three consecutive, peripheral sp 3 carbons (naphthalene chromophore).…”

“…31,[40][41][42][43][44][45] Recently, calculations for the reaction of 1-acenaphthyl and methyl suggest that ring expansion of the five-membered ring occurs by methylation to produce 1H-phenalene and the phenalenyl radical 46 . Phenalenyl radical 47,48 is posited to play a role in soot inception and growth 33 . It consists of three aromatic rings which share a central carbon atom.…”

“…Ring expansion has been proposed to take place by methylation followed by rearrangement and H-loss, and this mechanism has been invoked to account for benzene formation from the cyclopentadienyl radical and naphthalene formation from indene (Figure b). ,− Recently, calculations for the reaction of 1-acenaphthyl and methyl suggest that ring expansion of the five-membered ring occurs by methylation to produce 1H-phenalene and the phenalenyl radical . Phenalenyl, a resonantly stabilized radical, − is posited to play a role in soot inception and growth . It consists of three aromatic rings which share a central carbon atom.…”

Decay Dynamics in Molecular Beams

“…The use of this technique is widespread. For examples on molecular ions, see Dunbar & Fu (1973), Drzaig & Brauman (1984), Wetzel & Brauman (1987), Dunbar (1988), Willey et al, (1991); for clusters, see Borggreen et al (1993), Collings et al (1994, , Vogel, Herlert, & Schweikhard (2003), Gilb et al (2004), Kaydashev et al (2016); and for biomolecular ions, see Nielsen et al (2001), Andersen et al (2005), Antoine & Dugourd (2013), Yao & Jockusch (2013), Bellina et al (2014), Harvey et al (2015), Wellman & Jockusch (2015), Xu et al (2015), Milne et al (2016), O'Connor et al (2017, Woodhouse et al (2017).…”