Related papers: The Computed Microwave Spectrum of the Protonated …
Using the highly localized current of electrons tunneling through a double barrier Scanning Tunneling Microscope (STM) junction, we excite luminescence from a selected C$_{60}$ molecule in the surface layer of fullerene nanocrystals grown…
Buckminsterfullerene (C60) was recently detected through its infrared emission bands in the interstellar medium (ISM), including in the proximity of massive stars, where physical conditions could favor the formation of the cationic form,…
In this paper, motivated by the experimental evidence of rapidly rotating $C_{60}$ molecules in fullerite, we study the low-energy electronic states of rotating fullerene within a continuum model. In this model, the low-energy spectrum is…
The polarization-response spectrum of the fullerene C60 modeled as a homogeneous spherical plasma shell is calculated in the framework of the hydrodynamic approach allowing for the spatial dispersion caused by the Fermi-distributed valence…
We report a group of unusually big molecular orbitals in the C60/pentacene complex. Our first-principles density functional calculation shows that these orbitals are very delocalized and cover both C60 and pentacene, which we call…
The static dielectric response of C60, C180, C240, C540, C720, C960, C1500, and C2160 fullerenes is characterized by an all-electron density-functional method. First, the screened polarizabilities of C60, C180, C240, and C540, are…
Ethanediol is one of the largest complex organic molecules detected in space thus far. It has been found in different types of molecular clouds. The two propanediol isomers are the next larger diols. Hence, they are viable candidates to be…
The infrared bar-spectrum of a single ammonia molecule encapsulated in nano-cage C$_{60}$ fullerene molecule is modelled using the site inclusion model successfully applied to analyze spectra of CO$_2$ isotopologues isolated in rare gas…
Quantum state-resolved spectroscopy was recently achieved for C60 molecules when cooled by buffer gas collisions and probed with a midinfrared frequency comb. This rovibrational quantum state resolution for the largest molecule on record is…
We report the observation of quantized translational and rotational motion of molecular hydrogen inside the cages of C60. Narrow infrared absorption lines at the temperature of 6K correspond to vibrational excitations in combination with…
We report a computational study of the stability and infrared (IR) vibrational spectra of neutral and singly ionised fullerene cages containing between 44 and 70 carbon atoms. The stability is characterised in terms of the standard enthalpy…
Context. Insight into the conditions that drive the physics and chemistry in interstellar clouds is gained from determining the abundance and charge state of their components. Aims. We propose an evaluation of the C60:C60+ ratio in diffuse…
Cyanogen (NCCN) is the simplest member of the series of dicyanopolyynes. It has been hypothesized that this family of molecules can be important constituents of interstellar and circumstellar media, although the lack of a permanent electric…
We demonstrate the role played by the fullerene shell in the photoionization and vacancy decay of endohedral atoms A@C60. It is shown, partly in the frame of a rather simple model that describes the fullerene shell, partly using only the…
The discovery of the C60 fullerene opened new horizons to design carbon nanostructures with targeted electronic structure as well as transport and optical properties. For example, endohedral 12C60 molecules were proposed as candidates for…
Blends of polymer and C$_{60}$-derived molecules are in the spotlight in recent years for application in organic photovoltaics, forming what is known as bulk-heterojunction active layers. The character of the heterojunction is determinant,…
Due to recent advances in laboratory spectroscopy, the first optical detection of a very large molecule has been claimed in the diffuse interstellar medium (ISM): C60+ (ionized Buckminsterfullerene). Confirming the presence of this molecule…
We search high-resolution and high-quality VLT/UVES optical spectra of the hot R Coronae Borealis (RCB) star DY Cen for electronic transitions of the C60 molecule and diffuse interstellar bands (DIBs). We report the non-detection of the…
Using the Yebes 40m radio telescope, we report the detection of a series of seven lines harmonically related with a rotational constant B0=1295.81581 +/- 0.00026 MHz and a distortion constant D0=27.3 +/- 0.5 Hz towards the cold dense cloud…
The rotational line survey by ALMA (Atacama Large Millimeter/submillimeter Array) recently revealed the presence of i-C3H7CN (i-PrCN) and n-C3H7CN (n-PrCN) in 3-mm atmospheric window between 84 to 111 GHz towards the hot core region…