Time-of-flight mass and photoelectron spectroscopy study of LaC-n

Suzuki, Satoshi; Kohno, Masamichi; Shiromaru, H.; Achiba, Yohji; Kietzmann, Hardy; Keßler, Barbara; Ganteför, Gerd; Eberhardt, W.

doi:10.1007/s004600050238

Cited by 9 publications

(9 citation statements)

References 13 publications

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“…Summarizing, the ionization potentials of LaC n cluster show odd-even alternations, while the electron affinities do not show these alternations. This is in agreement with the available experimental data for the IP's [4] of LaC n and the VDE's of LaC − n [5]. These different trends can be explained by the different location of the hole/charge in both cases, as it will be shown in the following discussion.…”

Section: Resultssupporting

confidence: 89%

“…For small sizes of LaC n the appearance potentials (AP) have been measured for some of these clusters [4]. They showed even-odd alternations for the AP's with maxima for a odd number of carbon atoms n. On the other hand measurements of the PES have been performed recently for the corresponding cluster anions: Suzuki et al [5] reported the vertical detachment energies (VDE) for LaC − n ( 2 ≤ n ≤ 8 ). While Arnold et al measured also the VDE's for pure carbon clusters C − n [6].…”

Section: Introductionmentioning

confidence: 97%

“…While some experimental work has been done [4][5][6], little systematic theoretical investigations have been performed to understand these experimental results. The purpose of this study is to clarify the trends in VDE's for LaC n − and in AP's for the LaC n clusters.…”

Section: Introductionmentioning

confidence: 97%

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Electronic structure of Lanthanum-carbon clusters

Ayuela

Seifert

Schmidt

1997

Z Phys D - Atoms, Molecules and Clusters

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As the attachment of a metal change the molecular and electronic structure of carbon clusters, the electronic properties as ionization potentials (IP) and electron affinities (EA) for small Lanthanum-carbon clusters LaC n with n=1-6 have been investigated theoretically. They were studied by density-functional-theory (DFT) within LDA and considering Gradient corrections (GC) for the exchange-correlation potential ( Becke-Perdew). The results for both quantities were obtained in good agreement with the experimental data: odd-even alternating IP's, and no alternations for the EA's. The different charge location in the carbon chains or at the La atom can explain the different trends of both quantities, respectively.

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Section: Resultssupporting

confidence: 89%

Section: Introductionmentioning

confidence: 97%

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Electronic structure of Lanthanum-carbon clusters

Ayuela

Seifert

Schmidt

1997

Z Phys D - Atoms, Molecules and Clusters

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“…17 Ion mobility experiments indicated that LaC n ϩ (nϭ2 -8) indeed have the cyclic structures. 18 A PES study, however, suggested linear structures for all the LaC n Ϫ (nϭ2 -8) species, 19 which are in contrast to the cyclic structures suggested by the theoretical calculations for nϭ2 -6. 17,20 A recent PES study on MC n Ϫ ͑MϭSc, Y, and La, nϭ5 -20͒ suggested that MC n…”

Section: Introductionmentioning

confidence: 85%

Photoelectron spectroscopy of mono-niobium carbide clusters NbCn−(n=2–7): Evidence for a cyclic to linear structural transition

Zhai

Liu

et al. 2001

The Journal of Chemical Physics

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We investigated a series of mono-niobium carbide clusters, NbC n Ϫ (nϭ2-7), using anion photoelectron spectroscopy. Vibrationally resolved photoelectron spectra were observed for NbC 2 Ϫ and NbC 3 Ϫ , which were both shown to have cyclic C 2v structures. Two isomers were observed for NbC 4 Ϫ and NbC 5 Ϫ. The weak and low electron binding energy isomers were shown to be cyclic structures forming a series with NbC 2 Ϫ and NbC 3 Ϫ , and all have similar and low electron binding energies. The main isomers of NbC 4 Ϫ and NbC 5 Ϫ , which possess much higher electron binding energies, were shown to be due to linear structures, which form a series with NbC 6 Ϫ and NbC 7 Ϫ. All the linear NbC n Ϫ clusters were observed to have high electron binding energies and exhibit an even-odd alternation, similar to that observed for pure linear carbon clusters in the same size range. A cyclic to linear structural transition was thus observed for the NbC n Ϫ clusters from NbC 3 Ϫ to NbC 4 Ϫ , with the cyclic structures favored for the smaller clusters and the linear isomers favored for the larger clusters.

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“…Ϫ by Suzuki et al 12 We proposed a C 2v ring structure for TiC 3 based on the similar EAs of all the TiC x series of clusters that we studied. The C 2v structure of TiC 3 has been confirmed by recent DFT calculations by Sumathi and Hendrickx.…”

Section: Introductionmentioning

confidence: 96%

Vibrationally resolved photoelectron spectroscopy of the first row transition metal and C3 clusters: MC3− (M=Sc, V, Cr, Mn, Fe, Co, and Ni)

Wang

2000

The Journal of Chemical Physics

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We report photoelectron spectra of the MC 3 Ϫ clusters for MϭSc, V, Cr, Mn, Fe, Co, and Ni at two photon energies, 355 and 266 nm. Vibrational structure is resolved for the ground and excited state detachment transitions for all the clusters except for CoC 3 Ϫ and NiC 3 Ϫ. Electron affinity ͑EA͒ and vibrational frequencies for the MC 3 clusters are obtained. Complicated low-lying excited state features are observed for all the species. We find that the trend of the EA across the 3d series for the MC 3 clusters is similar to that of the MC 2 species. The vibrational frequency is found to increase from ScC 3 to TiC 3 and then decreases monotonically to the right of the 3d series. Preliminary density functional theory calculations are performed on all the MC 3 and MC 3 Ϫ clusters at several initial geometries and spin multiplicities. We find that the ground states of all the MC 3 and MC 3 Ϫ species have C 2v ring structures. The calculated M-C stretching frequency for all the MC 3 species is in good agreement with the experimental measurement, lending credence to the obtained C 2v structure.

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Time-of-flight mass and photoelectron spectroscopy study of LaC-n

Cited by 9 publications

References 13 publications

Electronic structure of Lanthanum-carbon clusters

Electronic structure of Lanthanum-carbon clusters

Photoelectron spectroscopy of mono-niobium carbide clusters NbCn−(n=2–7): Evidence for a cyclic to linear structural transition

Vibrationally resolved photoelectron spectroscopy of the first row transition metal and C3 clusters: MC3− (M=Sc, V, Cr, Mn, Fe, Co, and Ni)

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