arXiv subjects

Elisabeth Gruber

Publications and source records attributed to Elisabeth Gruber.

5 recordsLinked to original sources

arXiv2026

Coordination-driven magic numbers in protonated argon clusters

The structural properties of rare-gas clusters can be primarily described by a simple sphere packing model or by pairwise interactions. Remarkably, adding a single proton yields a large set of magic numbers that has remained unexplained. In this Letter, we unravel their origin by combining quantum Monte Carlo techniques with many-body ab initio potentials that correctly capture the proton's coordination environment. Thanks to this approach, we find that argon atoms are mainly localized around the classical minimum, resulting in a particularly rigid behavior in stark contrast to lighter rare-gas clusters. Moreover, as cluster size increases, we identify a clear structural transition from many-body coordination-driven stability to a regime dominated by two-body interactions, reflecting a reshaping of the underlying potential energy landscape.

physics.atm-clus↗

arXiv2025

Dark-State-Mediated Efficient Energy Trapping in a Model GFP Chromophore

The functional properties of photoactive proteins are governed by the interplay between bright and dark excited states. While the bright states are well-studied, the dark states, which are fundamental to photostability and light harvesting, are notoriously difficult to characterize. Here, we report the direct observation and full characterization of an optically dark, low-lying singlet excited state in the isolated anion of the meta green fluorescent protein (GFP) chromophore. Using a combination of ultrafast time-resolved action-absorption and photoelectron spectroscopy, we have captured the formation of this state in 100 fs and measured its remarkably long lifetime of 94 ps. We unambiguously assign its charge-transfer character and reveal the precise trapping mechanism through high-level ab initio calculations. Our findings uncover a photoprotective mechanism in biomolecular anions where ultrafast internal conversion quenches electron emission, stabilizing long-lived electronic excitation even when the energy exceeds the electron detachment threshold.

physics.chem-ph↗

arXiv2025

Cyclic C$_4^+$ as the carrier of the diffuse interstellar band at 503.9 nm?

The diffuse interstellar bands (DIBs) have remained a mystery in astronomy since their discovery over a century ago. The only currently known carrier is C$_{60}^+$ responsible for five DIBs, while more than 550 are yet to be interpreted. The spectra of short carbon chain cations C$_n^+$, which are considered one of the most promising classes of species for the role of carriers of DIBs, are successfully recorded using He-tagging spectroscopy. The comparison of laboratory spectra with the observations demonstrates a close match of two absorption bands of C$_4^+$ with the broad DIB at 503.9 nm. This defines a high abundance of these ions in the interstellar medium (ISM), which should exceed those of other similar-sized carbon chain cations. It is anticipated that all other short carbon chain cations will exhibit linear geometry and, as a consequence, will have a long vibrational progression. However, the distinctive cyclic geometry of C$_4^+$ is postulated to underpin the elevated abundance of these ions in the ISM, as well as the distinctive spectrum of this ion, which displays a single strong, relatively narrow absorption band that exceeds in intensity all other absorption bands in the visible range.

astro-ph.GA↗

arXiv2023

Charging up the cold: Formation of doubly- and triply-charged fullerene dimers in superfluid helium nanodroplets

Sequential ionization of fullerene cluster ions (C$_{60}$)$_{n}^{+}$ within multiply-charged helium nanodroplets leads to the intriguing phenomenon of forming and stabilizing doubly- and triply-charged fullerene oligomers. Surprisingly, we have detected (C$_{60}$)$_{2}^{2+}$ and (C$_{60}$)$_{2}^{3+}$, indicating that dimers, rather than the previously established pentamers and dodecamers, are the smallest fullerene cluster sizes capable of stabilizing two and even three charges. This remarkable resilience against Coulomb explosion is achieved through efficient cooling within the superfluid environment of helium nanodroplets, and a sequential ionization scheme that populates covalently bound or physisorbed fullerene dimers. Calculations support the stability of four differently bonded (C$_{60}$)$_{2}^{2+}$ and (C$_{60}$)$_{2}^{3+}$ isomers and predict a low Coulomb barrier (<0.4 eV) preventing even dissociation of cold van der Waals complexes.

physics.atm-clus↗

arXiv2014

Charge Exchange and Energy Loss of Slow Highly Charged Ions in 1nm Thick Carbon Nanomembranes

Experimental charge exchange and energy loss data for the transmission of slow highly charged Xe ions through ultra-thin polymeric carbon membranes are presented. Surprisingly, two distinct exit charge state distributions accompanied by charge exchange dependent energy losses are observed. The energy loss for ions exhibiting large charge loss shows a quadratic dependency on the incident charge state indicating that equilibrium stopping force values do not apply in this case. Additional angle resolved transmission measurements point on a significant contribution of elastic energy loss. The observations show that regimes of different impact parameters can be separated and thus a particle's energy deposition in an ultra-thin solid target may not be described in terms of an averaged energy loss per unit length.

cond-mat.mtrl-sci↗