Chiral helicene nanohoop in One- and Two-photon absorption and ECD spectra

News Item Optics

Tuning optical cavities by Mobius topology

Bruno Piccirillo et al.

Summary: The resonance wavelengths of optical Mobius strip microcavities can be continuously tuned by changing the thickness-to-width ratio of the strip through geometric phase manipulation.

NATURE PHOTONICS (2023)

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Article Optics

Experimental observation of Berry phases in optical Mobius-strip microcavities

Jiawei Wang et al.

Summary: The Mobius strip offers a platform for investigating the topological behavior of spinning particles, such as electrons, polaritons, and photons. Despite theoretical investigations, the optical Berry phase in a Mobius-strip cavity has not been experimentally observed until now. In this study, the researchers successfully observed the Berry phase generated in optical Mobius-strip microcavities by generating elliptical polarization of the resonating light.

NATURE PHOTONICS (2023)

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Article Chemistry, Physical

Potential optical molecular switch: Lithium@cyclo[18]carbon complex transforming between two stable configurations

Zeyu Liu et al.

Summary: Doping lithium atom in the C-18 carbon molecule can effectively regulate its optical properties, with the ability to control the state by switching the Li atom position through an external electric field. The two configurations of Li@C-18 exhibit distinct electronic structures and optical nonlinear properties, making transition easy to occur at ambient temperature.

CARBON (2022)

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Article Chemistry, Multidisciplinary

Independent gradient model based on Hirshfeld partition: A new method for visual study of interactions in chemical systems

Tian Lu et al.

Summary: The powerful independent gradient model (IGM) method has limitations in graphically studying weak interactions. In this article, an improved version of IGM, called IGM based on Hirshfeld partition (IGMH), is proposed to overcome the shortcomings. The rigorous physical background of IGMH is demonstrated through various application examples, showcasing its important value in intuitively understanding interactions in chemical systems.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2022)

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Article Chemistry, Multidisciplinary

Circularly Polarized Luminescence in a Mobius Helicene Carbon Nanohoop

Juraj Malincik et al.

Summary: We have successfully synthesized a helicene carbon nanohoop with a unique structure and characterized its properties using NMR, MS, and X-ray analysis. The helicene carbon nanohoop exhibits chiroptical properties and configurational stability typical for higher helicenes, and also shows pronounced circular dichroism and circularly polarized luminescence.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2022)

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Article Chemistry, Physical

Efficient evaluation of electrostatic potential with computerized optimized code

Jun Zhang et al.

Summary: An efficient algorithm for evaluating ESP was proposed, which showed comparable or better performance than some state-of-the-art codes for systems like dopamine and remdesivir. The algorithm exhibited good parallelization scaling and was able to evaluate ESP for a system with 4840 GTOs and 259,262 ESP points in 1874 seconds on ordinary hardware.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2021)

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Article Chemistry, Physical