For over five decades, studies in the field of chemical physics and physical chemistry have primarily aimed to understand the quantum properties of molecules. However, high-resolution rovibronic spectroscopy has been limited to relatively small and simple systems because translationally and rotationally cold samples have not been prepared in sufficiently large quantities for large and complex systems. In this study, we present high-resolution rovibronic spectroscopy results for large gas-phase molecules, namely, free-base phthalocya-nine (FBPc). The findings suggest that buffer-gas cooling may be effective for large molecules introduced via laser ablation. High-resolution electronic spectroscopy, combined with other experimental and theoretical studies, will be useful in understanding the quantum properties of molecules. These findings also serve as a guide for quantum chemical calculations of large molecules.
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http://dx.doi.org/10.1038/s42004-022-00783-4 | DOI Listing |
Phys Chem Chem Phys
January 2025
Chemical Sciences and Engineering Division, Argonne National Laboratory, 9700 South Cass Avenue, Lemont, Illinois 60439, USA.
Photosynthetic reaction center proteins (RCs) provide ideal model systems for studying quantum entanglement between multiple spins, a quantum mechanical phenomenon wherein the properties of the entangled particles become inherently correlated. Following light-generated sequential electron transfer, RCs generate spin-correlated radical pairs (SCRPs), also referred to as entangled spin qubit (radical) pairs (SQPs). Understanding and controlling coherence mechanisms in SCRP/SQPs is important for realizing practical uses of electron spin qubits in quantum sensing applications.
View Article and Find Full Text PDFAcc Chem Res
January 2025
Mineralogical Society of Antwerp, Boterlaarbaan 225, 2100 Deurne, Belgium.
ConspectusWhile photochromic natural sodalites, an aluminosilicate mineral, were originally considered as curiosities, articles published in the past ten years have radically changed this perspective. It has been proven that their artificial synthesis was easy and allowed compositional tuning. Combined with simulations, it has been shown that a wide range of photochromic properties were achievable for synthetic sodalites (color, activation energy, reversibility, etc.
View Article and Find Full Text PDFLow-temperature phase (β-form) barium borate (BBO) is one of the most important nonlinear crystals that has been widely used for optical second-harmonic generation (SHG), especially with femtosecond sources. There was growing interest in its applications in the direct generation of terahertz (THz) radiations, but it was hindered by the lack of knowledge of its basic properties in the THz range. In a recent study based on first-principles quantum chemistry calculation, we found that the theoretically calculated refractive indices of β-BBO in the THz frequency range do not agree with the previously reported values.
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
Terahertz Research Center, School of Electronic Science and Engineering, University of Electronic Science and Technology of China, Chengdu 611731, China.
Low-dimensional materials (LDMs) with unique electromagnetic properties and diverse local phenomena have garnered significant interest, particularly for their low-energy responses within the terahertz (THz) range. Achieving deep subwavelength resolution, THz nanoscopy offers a promising route to investigate LDMs at the nanoscale. Steady-state THz nanoscopy has been demonstrated as a powerful tool for investigating light-matter interactions across boundaries and interfaces, enabling insights into physical phenomena such as localized collective oscillations, quantum confinement of quasiparticles, and metal-to-insulator phase transitions (MITs).
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
Institute of New Energy Technology, College of Physics & Optoelectronic Engineering, Jinan University, Guangzhou 510632, China.
CsSbBr, as a sort of novel lead-free perovskite single crystal, has the merits of high carrier mobility and a long diffusion length. However, the large-sized and high-crystallized CsSbBr single crystals are not easily obtained. Herein, we apply the vertical Bridgman method to grow centimeter-sized CsSbBr single crystal.
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