Ionization potentials of gold—sodium (Au Na ) bimetallic clusters

Hoshino, Kuniyoshi; Naganuma, Takashi; Watanabe, Katsura; Nakajima, Atsushi; Kaya, Kunimitsu

doi:10.1016/0009-2614(93)80145-f

Cited by 11 publications

(7 citation statements)

References 20 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…However, alloys of main group or transition metals with alkali metals are not generally available and cannot be used to make mixed diatomics. Mixed metal clusters for these systems have been prepared with two separate oven or laser vaporization sources coupled in the same experiment. − To make a simpler source with a single sample, we have prepared composite samples containing two immiscible metals. In one method, a solid rod of a transition metal is coated with a vapor deposited thin film of alkali metal.…”

Section: Introductionmentioning

confidence: 99%

Photoionization Spectroscopy of KAu and NaAu Diatomics

1999

View full text Add to dashboard Cite

The new metal diatomics KAu and NaAu are studied using resonant two-photon ionization (R2PI) electronic spectroscopy. These species are produced by laser vaporization of a “salted” gold rod in a pulsed nozzle cluster source. Analysis of the spectra provides the vibrational constants for the excited states and correlations to specific atomic asymptotes. Energetic cycles provide determinations of the ground-state dissociation energies. The values are D 0‘ ‘ = 2.75 ± 0.2 eV for KAu and D 0‘ ‘ = 2.64 ± 0.2 eV for NaAu. These dissociation energies for the heteronuclear diatomics are significantly greater than those for the corresponding homonuclear diatomics Na2, K 2, or Au2. Partial ionic character in the ground state bonding is implicated, analogous to that observed previously for silver and copper-alkali diatomics.

show abstract

Section: Introductionmentioning

confidence: 99%

Photoionization Spectroscopy of KAu and NaAu Diatomics

1999

View full text Add to dashboard Cite

show abstract

“…This jellium behavior of the ionization potentials was also observed by Kaya et al for larger Na/Au heteroclusters. The IP's of the Au n Na m clusters ( n = 6−13; m = 0−10) were measured using a doubled dye laser …”

Section: Discussionmentioning

confidence: 99%

“…The IP's of the Au n Na m clusters (n ) 6-13; m ) 0-10) were measured using a doubled dye laser. 51 In this work, a discontinuous drop of the IP was observed when one sodium atom was added to the Au 11 Na 7 , Au 12 Na 6 , Au 13 Na 5 , and Au 13 Na 7 clusters.…”

Section: Metal Cluster Abundance Spectroscopy 411 Relative Stabilmentioning

confidence: 92%

“…Such a transition could not be found for Li/Na or Na/K heteroclusters, however. , Experiments on very small CsAu clusters suggest that the ionic character is already developed in this small size range . In another set of experiments, the measurements of ionization potentials suggested that many bimetallic clusters behave like almost perfect jellium clusters, − e.g., structureless entities with more or less spherical shapes.…”

Section: Introductionmentioning

confidence: 97%

See 1 more Smart Citation

Metal−Metal Coordination Chemistry: Free Clusters of Group 11 Elements with Sodium

Vayloyan

Schumacher

1996

J. Phys. Chem.

View full text Add to dashboard Cite

Mixed metal clusters of sodium with copper, silver, and gold were produced by supersonic expansions at well-defined thermodynamic conditions. Differences in the behavior toward binary alloying, cluster formation, and relative thermodynamic stabilities are discussed within a structureless, delocalized, electronic shell model and using molecular orbital arguments and the different strengths of the relativistic effects of the coinage metals. Free-energy changes (∆G) of selected exchange reactions are determined, showing the substitution of gold atoms to be thermodynamically the most favored. This is due to the preferred s-d hybridization in gold atoms, leading to a stronger metal-metal interaction. The measured ionization potentials reveal a distinct shell closing at the octamer for all three heterosystems. The drop of the ionization potential going from the octamer to the nonamer is most pronounced for the sodium-silver heteroclusters and is almost as large as for pure sodium clusters.

show abstract

“…12,13 Hoshino et al produced neutral sodium−gold clusters with the composition of Na m Au n (6 ≤ m ≤ 13; 0 ≤ n ≤ 10) and measured their ionization potentials. 14 Heiz et al performed a similar study on gold-doped alkali−metal clusters with the compositions of Na n Au and Cs n Au. 12 We recently reported a combined computational and experimental study of anionic stoichiometric Na n Au n − (n = 1 − 3) clusters, 17 where the molecular structures of the anionic clusters were determined by comparing experimental and computational photoelectron spectroscopy (PES) spectra.…”

Section: Introductionmentioning

confidence: 99%

Computational Studies of Nonstoichiometric Sodium Auride Clusters

Lin

Sundholm

2012

J. Phys. Chem. A

View full text Add to dashboard Cite

The molecular structures of low-lying isomers of anionic and neutral sodium auride clusters have been studied computationally at the second-order Møller-Plesset perturbation theory level using quadruple-ζ basis sets augmented with a double set of polarization functions. The first vertical detachment energies were calculated at the Møller-Plesset level as the energy difference between the cluster anion and the corresponding neutral cluster. The photodetachment energies of higher-lying ionization channels were calculated by adding electronic excitation energies of the neutral clusters to the first vertical detachment energy. The excitation energies were calculated at the linear response approximate coupled-cluster singles and doubles level using the anionic cluster structures. The obtained ionization energies for NaAu(-), NaAu(2)(-), NaAu(3)(-), NaAu(4)(-), Na(2)Au(2)(-), Na(2)Au(3)(-), Na(3)Au(3)(-), and Na(2)Au(4)(-) were compared to values deduced from experimental photoelectron spectra. Comparison of the calculated photoelectron spectra for a few energetically low-lying isomers shows that the energetically lowest cluster structures obtained in the calculations do not always correspond to the clusters produced experimentally. Spin-component-scaled second-order Møller-Plesset perturbation theory calculations shift the order of the isomers such that the observed clusters more often correspond to the energetically lowest structure, whereas the spin-component-scaled approach does not improve the photodetachment energies of the sodium aurides. The potential energy surface of the sodium aurides is very soft, with several low-lying isomers requiring an accurate electron correlation treatment. The calculations show that merely the energetic criterion is not a reliable means to identify the structures of the observed sodium auride clusters; other experimental information is needed to ensure a correct assignment of the cluster structures. The cluster structures of nonstoichiometric anionic sodium aurides have been determined by comparing calculated ionization energies for low-lying structures of the anionic clusters with experimental data.

show abstract

Ionization potentials of gold—sodium (Au Na ) bimetallic clusters

Cited by 11 publications

References 20 publications

Photoionization Spectroscopy of KAu and NaAu Diatomics

Photoionization Spectroscopy of KAu and NaAu Diatomics

Metal−Metal Coordination Chemistry: Free Clusters of Group 11 Elements with Sodium

Computational Studies of Nonstoichiometric Sodium Auride Clusters

Contact Info

Product

Resources

About