Related papers: The aromatic Universe
Benzene, a hexagonal molecule with formula C$_6$H$_6$, is one of the most important aromatic hydrocarbons. Its structure arises from the $sp^{2}$ hybridization from which three in-plane $\sigma$-bonds are formed. A fourth $\pi$-orbital…
By bridging graphene and benzene through a well-defined sequence of polycyclic aromatic hydrocarbons and their inherent shell structure, J. Phys. Chem. C, 2018, 122, 17526, it is shown that graphene is actually a coherent arrangement of…
Polycyclic aromatic hydrocarbons and polycyclic aromatic nitrogen heterocycles are thought to be widespread throughout the Universe, because these classes of molecules are probably responsible for the unidentified infrared bands, a set of…
Ubiquitous unidentified infrared emission bands are seen in many astronomical sources. Although these bands are widely, if not unanimously, attributed to the collective emission from polycyclic aromatic hydrocarbons, no single species from…
Pure rotational spectra of three polycyclic aromatic hydrocarbons - acenaphthene, acenaphthylene and fluorene - have been obtained by Fourier transform microwave spectroscopy of a molecular beam and subsequently by millimeter wave…
Clusters of polycyclic aromatic hydrocarbon (PAH) molecules are modelled using explicit all-atom potentials using a rigid body approximation. The PAH's considered range from pyrene (C10H8) to circumcoronene (C54H18), and clusters containing…
Interstellar polycyclic aromatic hydrocarbon (PAHs) are an important component of the interstellar medium of galaxies, containing some 10 percent of the elemental carbon. Their vibrational emission dominates the mid-infrared spectra of…
We present an on-line database of computed molecular properties for a large sample of polycyclic aromatic hydrocarbons (PAHs) in four charge states: -1, 0, +1, and +2. At present our database includes 40 molecules ranging in size from…
We present and discuss carbon-rich compounds of astrochemical interest such as polyynes, acetylenic carbon chains and the related derivative known as monocyanopolyynes and dicyanopolyynes. Fullerenes are now known to be abundant in space,…
Astrochemistry lies at the nexus of astronomy, chemistry, and molecular physics. On the basis of precise laboratory data, a rich collection of more than 200 familiar and exotic molecules have been identified in the interstellar medium, the…
Polycyclic aromatic hydrocarbon (PAH) molecules, as revealed by the distinctive set of emission bands at 3.3, 6.2, 7.7, 8.6, 11.3 and 12.7 $\mu$m characteristic of their vibrational modes, are abundant and widespread throughout the…
Fullerenes are an allotrope of carbon having hollow, cage-like structure. Atoms in the molecule are arranged in pentagonal and hexagonal rings, such that each atom is connected to three other atoms. Simple polyhedra having only pentagonal…
The rational assembly of monomers, in principle, enables the design of a specific periodicity of polymeric frameworks, leading to a tailored set of electronic structure properties in these solid-state materials. The further development of…
Evolved stars are primary sources for the formation of polycyclic aromatic hydrocarbons (PAHs) and dust grains. Their circumstellar chemistry is usually designated as either oxygen-rich or carbon-rich, although dual-dust chemistry objects,…
The late stages of stellar evolution from asymptotic giant branch stars to planetary nebulae are now known to be an active phase of molecular synthesis. Over 80 gas-phase molecules have been detected through rotational transitions in the…
Recognized as important interstellar constituents, polycyclic aromatic hydrocarbons (PAHs) have been intensively studied in astrochemistry and their spectroscopy, thermodynamics, dynamics, and fragmentations are now amply documented. There…
We compare and analyze the Spitzer mid-infrared spectrum of three fullerene-rich planetary nebulae in the Milky Way and the Magellanic Clouds; Tc1, SMP SMC16, and SMP LMC56. The three planetary nebulae share many spectroscopic similarities.…
Recently reported anomalies in the double-photonionization spectra of aromatic molecules such as benzene, naphthalene, anthracene and coronene are attributed to Coulomb-pair resonances of pi electrons.
A novel theoretical method is developed to study the polycyclic aromatic hydrocarbon - diffuse interstellar band (PAH-DIB) hypothesis. In this method, a computer program is used to enumerate all PAH molecules with up to a specific number of…
Small organic molecules are thought to provide building blocks for the formation of complex interstellar polycyclic aromatic hydrocarbons (PAHs). However, the underlying chemical mechanisms remain unclear, particularly concerning the role…