The identification of species in the interstellar medium requires precise and molecule-specific spectroscopic information in the laboratory framework, in broad spectral ranges and under conditions relevant to interstellar environments. In this work, we measure the gas-phase infrared spectra of neutral carbon clusters, C ( = 6-11), in a molecular beam. The C distribution is formed by photofragmentation of C molecules, concurrently showing a top-down formation mechanism. A broad spectral range in the infrared between 500-3200 cm (20-3.125 μm) is investigated. We observe strong bands between 5 and 6 μm, in conjunction with novel features in the 3 μm region. Density functional theory calculations reveal that these short wavelength modes correspond to combination bands with significant infrared intensity. Moreover, we identify the ≤ 10 clusters as linear, while C adopts a ring configuration, placing the linear-to-ring transition at = 11 under our molecular beam conditions. The linearity of C is discussed based on the formation pathway from larger clusters in energetic conditions. Given the vast and very precise infrared information already been released from the James Webb Space Telescope mission, this infrared spectroscopic data set in conjunction with information on formation mechanisms is of major relevance for identifying neutral carbon clusters in astronomical environments.
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http://dx.doi.org/10.1039/d3cp05756a | DOI Listing |
Acc Chem Res
January 2025
The Department of Chemistry, State University of New York at Binghamton, Binghamton, New York 13902, United States.
ConspectusIn the search for efficient and selective electrocatalysts capable of converting greenhouse gases to value-added products, enzymes found in naturally existing bacteria provide the basis for most approaches toward electrocatalyst design. Ni,Fe-carbon monoxide dehydrogenase (Ni,Fe-CODH) is one such enzyme, with a nickel-iron-sulfur cluster named the C-cluster, where CO binds and is converted to CO at high rates near the thermodynamic potential. In this Account, we divide the enzyme's catalytic contributions into three categories based on location and function.
View Article and Find Full Text PDFACS Omega
January 2025
Instituto de Física, Universidade Federal de Goiás, Goiânia, Goiás 74001-970, Brazil.
We investigate the energetic and structural properties of small lithium clusters doped with a carbon atom using a combination of computational methods, including density functional theory (DFT), diffusion quantum Monte Carlo (DMC), and the Hartree-Fock (HF) approximation. We calculate the lowest energy structures, total ground-state energies, electron populations, binding energies, and dissociation energies as a function of cluster size. Our results show that carbon doping significantly enhances the stability of lithium clusters, increasing the magnitude of the binding energy by 0.
View Article and Find Full Text PDFTrends Microbiol
January 2025
Climate Change Cluster (C3), University of Technology Sydney, Sydney, New South Wales 2007, Australia; UAR 3278 CRIOBE, PSL Université Paris: EPHE-UPVD-CNRS, Université de Perpignan, 52 Avenue Paul Alduy, 66860, Perpignan, France. Electronic address:
Inter-microbial interactions fundamentally govern ocean ecology and biogeochemistry. Recently, Henshaw and colleagues revealed that important inter-bacterial associations in the ocean can be shaped by viral infections, whereby infected cyanobacteria release specific chemicals that attract heterotrophic bacteria, uncovering a new tripartite microbial interaction that influences carbon transfer in the surface ocean.
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
Department of Chemical Engineering, University of Patras, Patras 26504, Greece.
Energy-efficient separation of light alkanes from alkenes is considered as one of the most important separations of the chemical industry today due to the high energy penalty associated with the applied conventional cryogenic technologies. This study introduces fluorine-doped activated carbon adsorbents, where elemental fluorine incorporation into the carbon matrix plays a unique role in achieving high ethane selectivity. This enhanced selectivity arises from specific interactions between surface-doped fluorine atoms and ethane molecules, coupled with porosity modulation.
View Article and Find Full Text PDFMolecules
January 2025
A.V. Topchiev Institute of Petrochemical Synthesis, Russian Academy of Sciences, Leninsky Prospect 29, Moscow 119991, Russia.
In this study, the homogeneous carboxylation of potassium, sodium, and lithium phenolates in DMSO solution at 100 °C by the Kolbe-Schmitt reaction was investigated. The impact of water, phenolate concentration, and cation nature on the yield of products and reaction selectivity was demonstrated. Based on the patterns observed, it was concluded that a complex cluster mechanism governs the carboxylation reaction in the solution.
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