Structures and Ionization Energies of Sandwich Clusters (Vn(benzene)m)

Hoshino, Kuniyoshi; Kurikawa, Tsuyoshi; Takeda, Hiroaki; Nakajima, Atsushi; Kaya, Kunimitsu

doi:10.1021/j100010a013

Cited by 192 publications

(217 citation statements)

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“…For completeness, we have also considered dimers of the already metal-complexed helicenes, analogues of the triple [110] and higher-decker [111] sandwich compounds. The complexation energies of the reactions 2 M- [7]helicene + M!M(M- [7]helicene) 2 (M = Cr, Mo, W) are shown in Table 6.…”

Section: Dimerizationmentioning

confidence: 99%

Fixing the Chirality and Trapping the Transition State of Helicene with Atomic Metal Glue

Johansson

Patzschke

2009

Chemistry A European J

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By combining the intriguing geometrical properties of two classes of well-established molecules, the metallocenes and the helicenes, we propose a hybrid class of structures-the metallohelicenes. In these, the outer most aryl groups of a specific helicene are glued together by a complexing metal atom. This effectively fixes the chirality of the parent helicene, which otherwise easily undergoes thermal racemization. The fixed chirality suggests several interesting applications, ranging from building blocks of stable molecules with high circular dichroism and optical activity to chiral ligands and catalysts. Alternatively, the metal glue can trap the non-chiral transition state structure of helicene. High-level quantum chemical calculations show the readiness of formation and stability of the proposed complexes.

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Section: Dimerizationmentioning

confidence: 99%

Fixing the Chirality and Trapping the Transition State of Helicene with Atomic Metal Glue

Johansson

Patzschke

2009

Chemistry A European J

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“…Our recent development of methodology combining a laser-vaporization method and a molecular beam method has opened up a new way for facile investigation of organometallic clusters [8,9]. In the gas phase, it is possible to understand a metal-molecule interaction without a Corresponding author.…”

Section: Introductionmentioning

confidence: 99%

Generation and electronic properties of lanthanide–cyclooctatetraene organometallic clusters in gas phase

Kurikawa¹,

Hayakawa²,

Nagao³

et al. 1999

Eur. Phys. J. D

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Organometallic clusters of lanthanide (Ln = Nd, Er, Eu, and Yb) and 1,3,5,7-cyclooctatetraene (C 8 H 8 ) were produced by a combination of laser vaporization and molecular beam methods. In the mass spectra of [Lnn(C 8 H 8 )m], compositions of m = n + 1 were magic numbers. From mass spectrometry, photoionization spectroscopy, and photoelectron spectroscopy, we have concluded that these magic-numbered clusters take multiple-decker sandwich structures in which Ln atoms and C 8 H 8 molecules are alternatedly piled up. These sandwich clusters are formed through ionic bonds composed of multiply charged cations [Ln k+ (k = 2 and 3)] and multiply charged anions [C 8 H h− 8 (h = 1, 1.5, and 2)].PACS. 36.40.-c Atomic and molecular clusters -36.40.Mr Spectroscopy and geometrical structure of clusters -61.46.+w Clusters, nanoparticles, and nanocrystalline materials -71.24.+q Electronic structure of clusters and nanoparticles

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“…Moreover, the observation of a metal-like vibrational frequency of Pt 2 ͑C 6 H 6 ) Ϫ indicates that the platinum dimer does not dissociate upon benzenechemisorption in contrast to the reaction of V n Ϫ clusters with benzene. 17,18 As suggested by the C 6v -symmetry, the benzene molecule is coordinated merely to one of the two metal-dimer atoms. This so-called ''atop'' position (C 6v ) is not favored on densely packed metal surfaces.…”

Section: Methodsmentioning

confidence: 99%

“…15,16 Also, polynuclear vanadium benzene sandwich clusters have been studied both theoretically and experimentally. 17,18 A photoelectron study of V͑C 6 H 6 ) Ϫ has recently been published by Judai et al 19 Here we have explored benzene-reacted metal dimers which provide information about the differences of chemisorption on a transition metal vs a main group metal. The bonding of benzene onto Pt and Pd is expected to be principally different from that onto Pb due to the participation of d-orbitals.…”

Section: Introductionmentioning

confidence: 99%

Chemisorption of benzene on metal dimer anions: A study by photoelectron detachment spectroscopy

Lüttgens

Pontius

Friedrich

et al. 2001

The Journal of Chemical Physics

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Photoelectron detachment spectra of M2(C6H6)− (M=Pt, Pd, Pb) have been measured in the gas phase using photon energies of a Nd:YAG laser. The vibrationally resolved ground state transition from the anion to the neutral reveals an adiabatic electron affinity of (2.01±0.05) eV and (0.88±0.05) eV for Pt2(C6H6) and Pd2(C6H6), respectively. A ground state vibrational energy of (24.2±1) meV has been resolved for Pt2(C6H6). The corresponding vibrational energy of Pt2(C6H6)− amounts to (19.0±1.0) meV. The ground state vibrational energies of Pd2(C6H6) and Pd2(C6H6)− are (20.3±1.0) meV and (18.0±2.0) meV, respectively. The small vibrational frequencies suggest a perpendicular coordination (C6v-symmetry) of the benzene-adsorbed transition metal dimers. Pb2, on the other hand, is bound parallel to the benzene plane (C2v-symmetry). A closed shell ground state electron configuration is postulated for Pb2(C6H6) in contrast to the triplet ground state of unreacted Pb2. The vertical electron affinity of Pb2(C6H6) is (1.95±0.05) eV.

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Structures and Ionization Energies of Sandwich Clusters (Vn(benzene)m)

Cited by 192 publications

References 1 publication

Fixing the Chirality and Trapping the Transition State of Helicene with Atomic Metal Glue

Fixing the Chirality and Trapping the Transition State of Helicene with Atomic Metal Glue

Generation and electronic properties of lanthanide–cyclooctatetraene organometallic clusters in gas phase

Chemisorption of benzene on metal dimer anions: A study by photoelectron detachment spectroscopy

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