Grimme's Continuous Chirality Measure ( ) was developed for comparisons of the chirality of the electronic wave functions of molecules, typically in their ground states. For example, , and for alanine, hydrogen-peroxide, and for achiral molecules, respectively. Well-designed laser pulses can excite achiral molecules from the electronic ground state to time-dependent chiral superposition states, with chirality flips in the femto- or even attosecond (fs or as) time domains. Here we provide a time-dependent extension of Grimme's for trailing the electronic chirality flips. As examples, we consider two laser driven electronic wavefunctions which represent flips between opposite electronic enantiomers of oriented NaK within and . The corresponding vary respectively from or from to , and back.
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http://dx.doi.org/10.1002/cphc.202400132 | DOI Listing |
Rep Prog Phys
December 2024
Department of Physics, The University of Hong Kong, The University of Hong Kong, Pokfulam, Hong Kong, Hong Kong, 999077, HONG KONG.
Spinless systems exhibit unique topological characteristics compared to spinful ones, stemming from their distinct algebra. Without chiral interactions typically linked to spin, an intriguing yet unexplored interplay between topological and structural chirality may be anticipated. Here we discover spinless topological chiralities solely from structural chiralities that lie in the 3D spatial patterning of structureless units, exemplified using two types of twisted graphite systems.
View Article and Find Full Text PDFNat Commun
December 2024
School of Chemistry and Molecular Engineering, East China Normal University, Shanghai, China.
Attributed to their unique dynamic planar chirality, pillar[n]arenes, particularly pillar[5]arenes, have evolved as promising platforms for diverse applications such as circularly polarized luminescence (CPL) emitters. However, due to the unit flipping and swing, the achievement of excellent CPL performances of pillar[5]arenes in solution state remains a formidable challenge. To deal with this key issue, a mechanically locking approach has been successfully developed, leading to boosted dissymmetry factor (g) values of pyrene-tiaraed pillar[5]arenes up to 0.
View Article and Find Full Text PDFPolymers (Basel)
November 2024
Biomass Molecular Engineering Center and Department of Materials Science and Engineering, School of Forestry and Landscape Architecture, Anhui Agricultural University, 130 West Changjiang Road, Hefei 230036, China.
Nanocellulose has prompted extensive exploration of its applications in advanced functional materials, especially humidity-responsive materials. However, the sunflower pith (SP), a unique agricultural by-product with high cellulose and pectin content, is always ignored and wasted. This work applied sulfuric acid hydrolysis and sonication to sunflower pith to obtain nanocellulose and construct film materials with humidity-responsive properties.
View Article and Find Full Text PDFNat Commun
July 2024
State Key Laboratory of Heavy Oil Processing and Department of Biological and Energy Chemical Engineering, China University of Petroleum (East China), 66 Changjiang West Road, Qingdao, 266580, China.
Although hydrophobic interactions provide the main driving force for initial peptide aggregation, their role in regulating suprastructure handedness of higher-order architectures remains largely unknown. We here interrogate the effects of hydrophobic amino acids on handedness at various assembly stages of peptide amphiphiles. Our studies reveal that relative to aliphatic side chains, aromatic side chains set the twisting directions of single β-strands due to their strong steric repulsion to the backbone, and upon packing into multi-stranded β-sheets, the side-chain aromatic interactions between strands form the aromatic ladders with a directional preference.
View Article and Find Full Text PDFChemphyschem
November 2024
State Key Laboratory of Quantum Optics and Quantum Optics Devices, Institute of Laser Spectroscopy, Shanxi University, Taiyuan, 030006, China.
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