UV–visible absorption of small gold clusters in neon: Au<i>n</i> (<i>n</i> = 1–5 and 7–9)

Lecoultre, S.; Rydlo, A.; Félix, Christian; Buttet, J.; Gilb, Stefan; Harbich, W.

doi:10.1063/1.3537739

Cited by 66 publications

(90 citation statements)

References 69 publications

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“…In the case of Au (Ref. 19) and Cu (Ref. 18) clusters, the absolute value of the measured OS is definitely smaller than for Ag clusters.…”

Section: Comparison To Td-dft Calculationsmentioning

confidence: 98%

“…They are given here (see Fig. 1) for convenience and later on in order to compare within the same approximation the absorption spectra of Ag, Au, 19 and Cu (Ref. 18) clusters.…”

Section: Comparison To Td-dft Calculationsmentioning

confidence: 99%

“…The ideal case, gas phase absorption spectra at cryogenic temperatures are experimentally not accessible. Neon provides a weakly interacting medium, revealing numerous details as shown for selected sizes in Ag n /N e, 17 Cu n /N e, 18 and Au n /N e. 19 We present here a new series of absorption measurements on silver clusters (Ag n (n = 1-9)) deposited at 6 K in solid neon. The main features of these new data are similar to those obtained in other rare gas matrices, 4,5,7 however spectra show much better resolution and structures not present in previous measurements are clearly seen.…”

Section: Introductionmentioning

confidence: 99%

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Ultraviolet-visible absorption of small silver clusters in neon: Agn (n = 1–9)

Lecoultre

Rydlo

Buttet

et al. 2011

The Journal of Chemical Physics

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106

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We present optical absorption and fluorescence spectra in the UV-visible range of size selected neutral Ag n clusters (n = 1-9) in solid neon. Rich and detailed optical spectra are found with linewidths as small as 50 meV. These spectra are compared to time dependent density functional theory implemented in the TURBOMOLE package. Excellent agreement between theory and experiment is achieved in particular for the dominant spectroscopic features at photon energies below 4.5 eV. This allows a clear attribution of the observed electronic transitions to specific isomers. Optical transitions associated to the s-electrons are concentrated in the energy range between 3 and 4 eV and well separated from transitions of the d-electrons. This is in contrast to the other coinage metals (Au and Cu) which show a strong coupling of the d-electrons.

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“…In the case of Au (Ref. 19) and Cu (Ref. 18) clusters, the absolute value of the measured OS is definitely smaller than for Ag clusters.…”

Section: Comparison To Td-dft Calculationsmentioning

confidence: 98%

“…They are given here (see Fig. 1) for convenience and later on in order to compare within the same approximation the absorption spectra of Ag, Au, 19 and Cu (Ref. 18) clusters.…”

Section: Comparison To Td-dft Calculationsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Ultraviolet-visible absorption of small silver clusters in neon: Agn (n = 1–9)

Lecoultre

Rydlo

Buttet

et al. 2011

The Journal of Chemical Physics

Self Cite

106

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“…Their ionization potentials have been determined by threshold electron impact ionization [29], excited states of Au3 have been characterized via resonant two-photon ionization spectroscopy [30], and for the same size, a vibronic spectrum in the mid-IR has been measured in a Ne matrix [31]. Optical spectra of odd-sized clusters Aun (n = 7, 9, 11, 13) have been measured using photodissociation of weakly bound complexes with Xe atoms [32] as well as for mass-selectively deposited small (n = 1-5, 7-9) Au clusters in Ne matrices [33]. The latter results have been compared to results of TD-DFT calculations that reproduce several experimental features, but do not allow with certainty the attribution of the measured spectra to specific isomers.…”

Section: Introductionmentioning

confidence: 99%

Far-IR Spectra of Small Neutral Gold Clusters in the Gas Phase

Gruene

Butschke

Lyon

et al. 2014

Zeitschrift Für Physikalische Chemie

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Abstract. Vibrational spectra of small neutral gold clusters containing up to 8 Au atoms are measured in the far-infrared (46-222 cm -1 ) via photodissociation of their complexes with krypton atoms. Comparisons with calculated IR spectra for bare Aun clusters using density functional theory allow for structural assignment. For these small sizes, all clusters are found to be planar and of comparably high symmetry. For Au6 no data is available, as this cluster size is not detected in the photoionization mass spectra due to its high ionization energy. The structures assigned are for n = 4: rhombus (D2h); 5: trapezoid (C2v); 7: edge-capped triangle (Cs), 8: 4-fold edge-capped square (D4h).

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“…Close-lying d-electrons are known to quench the oscillator strength by screening the s electrons and getting partially involved in the excitations. 19,20 Optical absorption spectra of size selected noble metal clusters can be obtained by embedding them in inert gas 21 or in transparent ceramic matrices. 17 Such matrices prevent the clusters from effectively dissociating upon irradiation and allow using commercially available spectrophotometers.…”

Section: Introductionmentioning

confidence: 99%

Copper doping of small gold cluster cations: Influence on geometric and electronic structure

Lang

Claes

Cuong

et al. 2011

The Journal of Chemical Physics

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Analytical approach for the excited-state Hessian in time-dependent density functional theory: Formalism, implementation, and performance J. Chem. Phys. 135, 184111 (2011) Stability analysis of multiple nonequilibrium fixed points in self-consistent electron transport calculations J. Chem. Phys. 135, 174111 (2011) Communication: Orbital instabilities and triplet states from time-dependent density functional theory and longrange corrected functionals J. Chem. Phys. 135, 151103 (2011) All-electron time-dependent density functional theory with finite elements: Time-propagation approach J. Chem. Phys. 135, 154104 (2011) Additional information on J. Chem. Phys. The effect of Cu doping on the properties of small gold cluster cations is investigated in a joint experimental and theoretical study. Temperature-dependent Ar tagging of the clusters serves as a structural probe and indicates no significant alteration of the geometry of Au n + (n = 1-16) upon Cu doping. Experimental cluster-argon bond dissociation energies are derived as a function of cluster size from equilibrium mass spectra and are in the 0.10-0.25 eV range. Near-UV and visible light photodissociation spectroscopy is employed in conjunction with time-dependent density functional theory calculations to study the electronic absorption spectra of Au 4-m Cu m + (m = 0, 1, 2) and their Ar complexes in the 2.00−3.30 eV range and to assign their fragmentation pathways. The tetramers Au 4 + , Au 4 + · Ar, Au 3 Cu + , and Au 3 Cu + · Ar exhibit distinct optical absorption features revealing a pronounced shift of electronic excitations to larger photon energies upon substitution of Au by Cu atoms. The calculated electronic excitation spectra and an analysis of the character of the optical transitions provide detailed insight into the composition-dependent evolution of the electronic structure of the clusters.

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UV–visible absorption of small gold clusters in neon: Aun (n = 1–5 and 7–9)

Cited by 66 publications

References 69 publications

Ultraviolet-visible absorption of small silver clusters in neon: Agn (n = 1–9)

Ultraviolet-visible absorption of small silver clusters in neon: Agn (n = 1–9)

Far-IR Spectra of Small Neutral Gold Clusters in the Gas Phase

Copper doping of small gold cluster cations: Influence on geometric and electronic structure

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