Investigating the M*He exciplexes, M={Li,Na,K,Rb,Cs,Fr}: Density functional approach

Zbiri, Mohamed; Daul, Claude

doi:10.1063/1.1810133

Cited by 26 publications

(21 citation statements)

References 25 publications

(21 reference statements)

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“…It should be noted that our non-BSSE corrected D e value was also seen to be quite large ($700 cm À1 ). Recent relativistic DFT calculations [36] predicted also a large value for D e , differing from ours by dD e = $37%. It is known that DFT might not be the best way to describe van der Waals interactions and that binding is often overestimated [36].…”

Section: Resultscontrasting

confidence: 63%

“…Recent relativistic DFT calculations [36] predicted also a large value for D e , differing from ours by dD e = $37%. It is known that DFT might not be the best way to describe van der Waals interactions and that binding is often overestimated [36]. Present D e value is also significantly larger than values obtained from two model potential approaches [37,8] with relative differences dD e = $50%, $30%, respectively.…”

Section: Resultscontrasting

confidence: 63%

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Ab initio potential energy curves and transition dipole moments for the interaction of a ground state He with Na(3s–3p)

et al. 2009

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Section: Resultscontrasting

confidence: 63%

Section: Resultscontrasting

confidence: 63%

Ab initio potential energy curves and transition dipole moments for the interaction of a ground state He with Na(3s–3p)

et al. 2009

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“…The formation of exciplexes is strictly connected to the potential Cs * -He. The potential barrier in the A 2 1/2 state [34][35][36] has to be overcome to form exciplexes. The barrier height is given as 75 (Ref.…”

Section: Non-desorption Of Cs Monomers In Their 6 2 P 1/2 ( 2 1/mentioning

confidence: 99%

Cs atoms on helium nanodroplets and the immersion of Cs+ into the nanodroplet

Theisen

Lackner

Ernst

2011

The Journal of Chemical Physics

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We report the non-desorption of cesium (Cs) atoms on the surface of helium nanodroplets (He(N)) in their 6(2)P(1/2) ((2)Π(1/2)) state upon photo-excitation as well as the immersion of Cs(+) into the He(N) upon photo-ionization via the 6(2)P(1/2) ((2)Π(1/2)) state. Cesium atoms on the surface of helium nanodroplets are excited with a laser to the 6(2)P states. We compare laser-induced fluorescence (LIF) spectra with a desorption-sensitive method (Langmuir-Taylor detection) for different excitation energies. Dispersed fluorescence spectra show a broadening of the emission spectrum only when Cs-He(N) is excited with photon energies close to the atomic D(1)-line, which implies an attractive character of the excited state system (Cs∗-He(N)) potential energy curve. The experimental data are compared with a calculation of the potential energy curves of the Cs atom as a function of its distance R from the center of the He(N) in a pseudo-diatomic model. Calculated Franck-Condon factors for emission from the 6(2)P(1/2) ((2)Π(1/2)) to the 6(2)S(1/2) ((2)Σ(1/2)) state help to explain the experimental data. The stability of the Cs∗-He(N) system allows to form Cs(+) snowballs in the He(N), where we use the non-desorbing 6(2)P(1/2) ((2)Π(1/2)) state as a springboard for ionization in a two-step ionization scheme. Subsequent immersion of positively charged Cs ions is observed in time-of-flight mass spectra, where masses up to several thousand amu were monitored. Only ionization via the 6(2)P(1/2) ((2)Π(1/2)) state gives rise to a very high yield of immersed Cs(+) in contrast to an ionization scheme via the 6(2)P(3/2) ((2)Π(3/2)) state. When resonant two-photon ionization is applied to cesium dimers on He droplets, Cs(2) (+)-He(N) aggregates are observed in time-of-flight mass spectra.

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“…We note that the exceptionally low binding energy of lithium to helium makes the formation of LiHe less favorable than many other helium VdW molecules [18]. We chose to search for LiHe due to our group's prior experience working with atomic lithium [17], prior theoretical work on the structure of the LiHe molecule [3,[19][20][21][22], and because atomic lithium's D transition is easily accessed with diode lasers.…”

mentioning

confidence: 99%