Efficient atom-molecule conversion in Bose–Einstein condensates based on nonlinear dressed-state scheme

Cao, Hong; Han, Xiangyu; Wu, Huan

doi:10.1016/j.chaos.2023.113882

Cited by 1 publication

(2 citation statements)

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“…To further study the interaction between Th and B 40 , BCP analysis ( Figure 4 ) was carried out [ 50 , 51 ], focusing specifically on the BCPs identified between the Th and B 40 cages. The detailed parameters of these BCPs are shown in Table S4 .…”

Section: Resultsmentioning

confidence: 99%

“…On the other hand, according to the NBO analysis and the mapping of frontier molecular orbitals, there is a clear electron backdonation from borospherene D 2d -B 40 to the Th atom, suggesting the presence of covalent interaction characteristics. Additionally, Mayer bond orders have been calculated to characterize the covalent interactions between them, as shown in Table 3 To further study the interaction between Th and B 40 , BCP analysis (Figure 4) was carried out [50,51], focusing specifically on the BCPs identified between the Th and B 40 cages. The detailed parameters of these BCPs are shown in Table S4.…”

Section: Interactions Between Th and B 40mentioning

confidence: 99%

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Insights into ThB40: Stability, Electronic Structure, and Interaction

Li,

Wang,

Zhou

et al. 2024

Molecules

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The interaction between nonmetal and metal atoms has attracted great interest in the development of organometallic compounds and their promising applications. In this study, we explored the interaction between boron and thorium atoms, based on the stable B40Th coordination compound, by employing density functional theory calculations. We elucidated the stability and geometries of the B40Th coordination compound and revealed the electron transfer from the metal atom Th to B40, which is evidenced by the natural bond orbital calculations. This electron transfer is attributed to the electron-withdrawing character of the boron atom and results in clear electrostatic interaction. Additionally, bond critical analysis and bond order calculations show obvious covalent characters between the metal and nonmetal atoms. The IR spectrum was simulated to give detailed information to identify this targeted compound in future experiments. This study is expected to enhance the understanding of metal–nonmetal interactions and provides useful information for constructing new organometallic compounds based on actinium metal atoms.

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Section: Resultsmentioning

confidence: 99%

Section: Interactions Between Th and B 40mentioning

confidence: 99%