Related papers: Mapping the structural diversity of C60 carbon clu…
We explore the possibility to trap polynitrogen clusters inside C60 fullerene cage, opening a new direction of developing nitrogen-rich high energy materials. We found that a maximum of 13 nitrogen atoms can be encapsulated in a C60 cage.…
In 1985, "During experiments aimed at understanding the mechanisms by which long-chain carbon molecules are formed in interstellar space and circumstellar shells", Harry Kroto and his collaborators serendipitously discovered a new form of…
Large organic molecules and carbon clusters are basic building blocks of life, but their existence in the universe has not been confirmed beyond doubt. A number of unidentified absorption features (arising in the diffuse inter-stellar…
The presence of carbon-chain molecules in the interstellar medium (ISM) has been known since the early 1970s and $>130$ such species have been identified to date, making up $\sim 43$% of the total of detected ISM molecules. They are…
We report on the detection with the Infrared Space Observatory (ISO) of a molecular band at 57.5 microns (174 cm^{-1}) in carbon-rich evolved stars and in Sgr B2. Taking into account the chemistry of these objects the most likelihood…
Fullerenes, including \ce{C60} and \ce{C70}, have been detected in various astronomical environments. Understanding how their structures evolve over time is essential for gaining insights into their life cycle and making further…
The two-dimensional polymer structure and lattice dynamics of the superionic conductor Li4 C60 are investigated by neutron diffraction and spectroscopy. The peculiar bonding architecture of this compound is definitely confirmed through the…
We study the electronic states of giant single-shell and the recently discovered nested multi-shell carbon fullerenes within the tight-binding approximation. We use two different approaches, one based on iterations and the other on…
Infrared spectra of Rg1,2 - C6H6 complexes (Rg = He, Ne, Ar) are observed in the region of the nu12 fundamental of C6H6 using a pulsed supersonic jet expansion and a tunable optical parametric oscillator laser source. The mixed trimer He -…
The infrared- and Raman-active vibrational modes of C60 were measured in the various structural states of Rb1C60. According to earlier studies, Rb1C60 has an $fcc$ structure at temperatures above ~100C, a linear chain polymer orthorhombic…
In order to deduce properties of dust in astrophysical environments where dust growth through aggregation is important, knowledge of the way aggregated particles interact with radiation, and what information is encoded in the thermal…
Interstellar graphene could be present in the interstellar medium (ISM), resulting from the photochemical processing of polycyclic aromatic hydrocarbon (PAH) molecules and/or collisional fragmentation of graphitic particles. Indeed, by…
Small metal-containing molecules have been detected and recognized as one of the hybrid species efficiently formed in space; especially in the circumstellar envelopes of evolved stars. It has been predicted also that more complex hybrid…
Fullerenes, including C60, C70, and C60+, are widespread in space through their characteristic infrared vibrational features (C60+ also reveals its presence in the interstellar medium through its electronic transitions) and offer great…
Large fullerenes and fullerene-based molecules have been proposed as carriers of diffuse interstellar bands (DIBs). The recent detection of the most common fullerenes (C60 and C70) around some planetary nebulae (PNe) now enable us to study…
We demonstrate that by combining two robust theoretical quantum chemistry calculation techniques, stepwise ionization of C60 fullerene by UV and extreme UV photons can in principle occur up to a limit as high as q=+26 before coulomb…
The spectra of fullerenes C60 and C70, higher fullerenes C76, C78 and C84 and hydrogenated fullerenes (fulleranes) were studied in laboratory in the UV and in the visible spectral range and could be used for searching and recognizing these…
Besides buckminsterfullerene (C60), other fullerenes and their derivatives may also reside in space. In this work, we study the formation and photo-dissociation processes of astronomically relevant fullerene/anthracene (C14H10) cluster…
A new classification system for carbon-rich stars is presented based on an analysis of 51 AGB carbon stars through the most relevant classifying indices available. The extension incorporated, that also represents the major advantage of this…
Investigations of clathrate structures have gained a new impetus with the recent discovery of room-temperature superconductivity in metal hydrides. Here we report the finding, through density functional theory calculations, of a clathrate…