A marked difference in the nuclear charge radius was observed between the I^{π}=3^{+} ground state and the I^{π}=0^{+} isomer of ^{38}K and is qualitatively explained using an intuitive picture of proton-neutron pairing. In a high-precision measurement of the isomer shift using bunched-beam collinear laser spectroscopy at CERN-ISOLDE, a change in the mean-square charge radius of ⟨r_{c}^{2}⟩(^{38}K^{m})-⟨r_{c}^{2}⟩(^{38}K^{g})=0.100(6) fm^{2} was obtained. This is an order of magnitude more accurate than the result of a previous indirect measurement from which it was concluded that both long-lived states in ^{38}K have similar charge radii. Our observation leads to a substantially different understanding since the difference in charge radius is, moreover, opposite in sign to previously reported theoretical predictions. It is demonstrated that the observed isomer shift can be reproduced by large-scale shell-model calculations including proton and neutron excitations across the N,Z=20 shell gaps, confirming the significance of cross-shell correlations in the region of ^{40}Ca.
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http://dx.doi.org/10.1103/PhysRevLett.113.052502 | DOI Listing |
Magn Reson Chem
December 2024
Section of Organic Chemistry and Biochemistry, Department of Chemistry, University of Ioannina, Ioannina, Greece.
Detailed DFT studies of H and C NMR chemical shifts of hydroxy secondary oxidation products of various geometric isomers of conjugated linolenic acids methyl esters are presented. Several low energy conformers were identified for model compounds of the central dienenol OH moiety, which were found to be practically independent on the various functionals and basis sets used. This greatly facilitated the minimization process of the geometric isomers of conjugated linolenic acids methyl esters.
View Article and Find Full Text PDFJ Am Chem Soc
December 2024
Department of Chemistry, University of Washington, Seattle, Washington 98195, United States.
Hydroalkylation of terminal alkynes is a powerful approach to the synthesis of disubstituted alkenes. However, its application is largely unexplored in the synthesis of α,β-unsaturated carbonyls, which are common among synthetic intermediates and biologically active molecules. The thermodynamically less stable -isomers of activated alkenes have been particularly challenging to access because of their propensity for isomerization and the paucity of reliable -selective hydroalkylation methods.
View Article and Find Full Text PDFChem Sci
December 2024
National Key Laboratory of Green Pesticide, International Joint Research Center for Intelligent Biosensor Technology and Health, College of Chemistry, Central China Normal University Wuhan 430079 P. R. China
Developing dithienylethene (DTE)-based fluorescence switches triggered by biocompatible visible light has always been a long-term goal in view of their potential in numerous biological scenarios. However, their practical availability is severely limited by the short visible light (generally less than 500 nm) required for photocyclization, their inability to achieve red or near-infrared emission, and their short fluorescence lifetimes. Herein, we present a novel DTE derivative featuring a dimethylamine-functionalized BF-curcuminoid moiety (NBDC) by using an "acceptor synergistic conjugation system" strategy.
View Article and Find Full Text PDFBiochemistry
December 2024
Key Laboratory of Theoretical and Computational Photochemistry, Ministry of Education, College of Chemistry, Beijing Normal University, Beijing 100875, China.
Large Stokes shift red fluorescent proteins (LSS-RFPs) are of growing interest for multicolor bioimaging applications. However, their photochemical mechanisms are not fully understood. Here, we employed the QM(XDW-CASPT2//CASSCF)/MM method to investigate the excited-state proton transfer and photoisomerization processes of the LSS-RFP mKeima starting from its cis neutral isomer.
View Article and Find Full Text PDFJ Phys Chem A
December 2024
Astrophysics Branch, NASA Ames Research Center, MS 245-6, Moffett Field, California 94035, United States.
Anharmonic computations reveal an intense, narrow (20 cm, 0.043 μm) absorption feature at approximately 2160 cm (4.63 μm) in the vibrational spectra of 14 prototypical singly isocyano-substituted polycyclic aromatic hydrocarbons (NC-PAHs) attributed to the NC stretching mode.
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