Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Experimental and Theoretical Studies of the HeICl Van der Waals Complexes in the Valence and Ion-pair States. / Лукашов, Сергей Сергеевич; Мартынов, Иван Игоревич; Порецкий, Сергей Артемович; Правилов, Анатолий Михайлович; Сивохина, Мария Михайловна.
в: ChemPhysChem, Том 24, № 17, e202300274, 2023.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Experimental and Theoretical Studies of the HeICl Van der Waals Complexes in the Valence and Ion-pair States
AU - Лукашов, Сергей Сергеевич
AU - Мартынов, Иван Игоревич
AU - Порецкий, Сергей Артемович
AU - Правилов, Анатолий Михайлович
AU - Сивохина, Мария Михайловна
PY - 2023
Y1 - 2023
N2 - The article presents results of experimental and theoreticalanalysis of the T-shaped and linear HeICl van der Waalscomplexes in the valence A1 and ion-pair β1 states as well asthe HeICl(A1,vA,nA !X0+,vX=0,nx and β1,vβ,nβ !A1,vA,nA) opticaltransitions (ni are quantum numbers of the vdW) modes). TheHeICl(β1,vβ,nβ)!He+ICl(E0+, D02, β1) decay are also studied.Luminescence spectra of the HeICl(β1,vβ=0–3,nβ) complexelectronic (ICl(E0+,vE, D02; vD0 ) and vibrational ICl(β1,vβ) predissociationproducts are measured, and branching ratios of decaychannels are determined. To construct potential energy surfacesfor the HeICl(A1, β1) states, we utilized the intermoleculardiatomic-in-molecule perturbation theory first order method.Experimental and calculated spectroscopic characteristics of theA1 and β1 states agree well. Comparison of the experimentaland calculated pump-probe, action and excitation spectrashows that the calculated spectra describe the experimentalspectra adequately.
AB - The article presents results of experimental and theoreticalanalysis of the T-shaped and linear HeICl van der Waalscomplexes in the valence A1 and ion-pair β1 states as well asthe HeICl(A1,vA,nA !X0+,vX=0,nx and β1,vβ,nβ !A1,vA,nA) opticaltransitions (ni are quantum numbers of the vdW) modes). TheHeICl(β1,vβ,nβ)!He+ICl(E0+, D02, β1) decay are also studied.Luminescence spectra of the HeICl(β1,vβ=0–3,nβ) complexelectronic (ICl(E0+,vE, D02; vD0 ) and vibrational ICl(β1,vβ) predissociationproducts are measured, and branching ratios of decaychannels are determined. To construct potential energy surfacesfor the HeICl(A1, β1) states, we utilized the intermoleculardiatomic-in-molecule perturbation theory first order method.Experimental and calculated spectroscopic characteristics of theA1 and β1 states agree well. Comparison of the experimentaland calculated pump-probe, action and excitation spectrashows that the calculated spectra describe the experimentalspectra adequately.
U2 - 10.1002/cphc.202300274
DO - 10.1002/cphc.202300274
M3 - Article
VL - 24
JO - Chemphyschem : a European journal of chemical physics and physical chemistry
JF - Chemphyschem : a European journal of chemical physics and physical chemistry
SN - 1439-4235
IS - 17
M1 - e202300274
ER -
ID: 137174529