By using a combination of molecular beam (MB) excitation spectra and two distinct ultracold molecule excitation spectra (UM+ and UM-), we have assigned high vibrational levels of the A and 3 (1)Σ(+) states from absorption spectra of the mutually strongly perturbed A (1)Σ(+) - 3 (1)Σ(+) - 1 (1)Π - 2 (3)Σ(+) - b (3)Π states of ultracold (39)K(85)Rb molecules in the energy region between 15,116 and 16,225 cm(-1) above the minimum of the ground X (1)Σ(+) state. The ultracold molecules (UM+ and UM-) are formed by radiative decay following photoassociation (PA) to a specific level of the 3(0(+)) state (UM+) or to a specific level of the 3(0(-)) state (UM-). We observe that the A and 3 (1)Σ(+) states are observable in the UM+ spectra, but absent from the UM- spectra. This is explained by considering Hund's case (c) selection rules and transition dipole moments between the upper excited A (1)Σ(+) (2(0(+))) state and the three Ω components (0(+), 0(-), and 1) at the ground-state dissociation limit. We propose further investigations of the extended potential wells of the A and 3 (1)Σ(+) states by combining short-range MB excitation spectra in a narrow Franck-Condon (FC) window near R(e) of the X (1)Σ(+) state, and long-range UM (and PA) excitation spectra, which have much larger FC windows.
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http://dx.doi.org/10.1063/1.4771661 | DOI Listing |
J Sep Sci
December 2024
State Key Laboratory of Component-Based Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin, China.
Researches regarding quality control of ginseng focusing on the lipids are rare. Herein, ultra-high-performance supercritical fluid chromatography/ion mobility-quadrupole time-of-flight mass spectrometry (UHPSFC/IM-QTOF-MS) combined with untargeted metabolomic analysis was utilized to holistically characterize and compare the lipidomic difference among 12 Panax-derived herbal medicines. The established UHPSFC/IM-QTOF-MS method, using a Torus 1-AA column with CO/CHOH (modifier) as the mobile phase, well resolved the ginseng lipidome within 30 min.
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September 2024
Theoretische Chemie, Physikalisch-Chemisches Institut, Universität Heidelberg, INF 229, D-69120 Heidelberg, Germany.
A quantal description of nuclear motion using coupled fifteen-state potential energy and spin-orbit coupling surfaces for studying the photodissociation of CHOO to HCO(XA) + OD and HCO(XA) + OP channels is presented. For the evaluation of surfaces, multireference electronic wave functions are employed. For the fully quantal description of the nuclear motion, we diabatize the PESs of the two and four lowest excited singlet and triplet states, respectively, within the three sets of vibronically coupled states, (BA', CA'), (aA', bA') and (aA'', bA''), employing the diabatization by ansatz method.
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May 2024
Department of Poultry Science, College of Agricultural and Environmental Sciences, University of Georgia, Athens, GA, United States.
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May 2024
Department of Biochemistry and Molecular Biology
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