Raman spectra of matrix-isolated group IIIA dimers: Ga2, In2, Tl2

Froben, F. W.; Schulze, W.; Kloss, U.

doi:10.1016/0009-2614(83)80183-3

Cited by 86 publications

(55 citation statements)

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“…The 1Z+ state is higher in energy by 0.15 eV than the 3]~-state which lies 0.16 eV above the ground state. Our calculated bond length and dissociation energy of the 3y~ state are in excellent agreement with the experimental values determined by Froben et al [46]: the deviations are 0.02 a.u. (Re) and 0.06 eV (De).…”

Section: Molecular Resultssupporting

confidence: 90%

“…Let us now turn to the ground state of In2 where experimental investigations on In 2 [46,57] led to conflicting results: Douglas et al found the 1E+ state to be the most stable one, whereas Froben et al [46] reported a 3Z-ground state. All-electron calculations performed by Balasubramanian and Li [58], however, yielded a 31-1 ground state.…”

Section: Molecular Resultsmentioning

confidence: 99%

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Comparative study of spectroscopic properties of some indium, tin and antimony compounds

et al. 1989

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Section: Molecular Resultssupporting

confidence: 90%

Section: Molecular Resultsmentioning

confidence: 99%

Comparative study of spectroscopic properties of some indium, tin and antimony compounds

et al. 1989

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“…co~ decreases in the same order. To the best of our knowledge only one experimental oge value is reported [36]. Our calculated result for 3/i, is smaller by 25 cm -~ than the experimental result of 180cm -~.…”

Section: 86contrasting

confidence: 68%

Ab initio MRD-CI study of neutral and charged Ga2, Ga3 and Ga4 clusters and comparison with corresponding boron and aluminum clusters

Meier

Peyerimhoff

Grein

1990

Z Phys D - Atoms, Molecules and Clusters

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MRD-CI calculations were performed on Ga, Gaz, Ga3, Gag and on the corresponding positive and negative ions. In general, pseudopotentials were used, and 4s 4p/ 2s 2p basis sets with s and p diffuse functions and one or two d functions. For Ga2, all-electron calculations were also performed. For Ga~ -+), potential functions for ground and low-lying excited states are given. For c~,o(_+) geometries were optimized both in C2,, and D~h symmetry. The lowest state of Ga~-is found to be aS +, of Ga3 4A2, and of Ga; 1At(D3h). Ionization potentials and electron affinities of Ga3 were evaluated. Many towlying excited states of Ga~3 -+) were found. Rhombic (Dzh , including square D4h), tetrahedral (Ta), T-shaped (C2~) and linear structures (D~h) were investigated in the search for the lowest state of Ga4. A square-planar arrangement of the nuclei, with Re= 5.30 ao, was found to have the lowest energy. The other geometries lie about 0.5 eV higher. In Dzh symmetry, low-lying excited states of Ga4, as well as ground and excited states of Ga,~ and Gag were studied.Geometries, ionization potentials, electron affinities, atomization and fragmentation energies of Ga, are compared with corresponding data for B, and A1,. Typical changes in going from first-row to third-row atoms are observed.

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“…Some of the signals observed in our work were previously observed and already tentatively assigned to Ga 2 . [28] In contrast to this previous work, though, the high resolution of our spectrometer allowed the detection of the 69 Ga/ 71 Ga isotopic pattern in the signal attributable to the vibrational fundamental and those arising from four overtones. The isotopic patterns prove not only that all the signals belong to the same molecule, but also that this molecule is indeed Ga 2 .…”

mentioning

confidence: 85%

Characterization of Isolated Ga₂ Molecules by Resonance Raman Spectroscopy and Variations of GaGa Bonding

Himmel

Gaertner

2004

Chemistry A European J

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Isolated Ga2 dimers were characterized in an argon matrix with the aid of resonance Raman and UV/Vis spectroscopy. The resonance Raman spectra gave evidence of not only the nu(Ga-Ga) fundamental, but also four overtones. Each of the signals exhibits 69Ga/71Ga isotopic splitting leading to the triplet pattern characteristic of two equivalent Ga atoms. On the basis of the experimental data, a harmonic frequency and anharmonicity constant have been determined for Ga2. An estimate of the dissociation energy on the assumption of a Morse-type potential energy curve results in a De value (upper limit) of about 145 kJ mol(-1). The force constant (64.8+/-0.3 N m(-1)) and dissociation energy of Ga2 are compared with those of other diatomics and those of molecules featuring Ga-Ga bonds.

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Raman spectra of matrix-isolated group IIIA dimers: Ga2, In2, Tl2

Cited by 86 publications

References 5 publications

Comparative study of spectroscopic properties of some indium, tin and antimony compounds

Comparative study of spectroscopic properties of some indium, tin and antimony compounds

Ab initio MRD-CI study of neutral and charged Ga2, Ga3 and Ga4 clusters and comparison with corresponding boron and aluminum clusters

Characterization of Isolated Ga₂ Molecules by Resonance Raman Spectroscopy and Variations of GaGa Bonding

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Raman spectra of matrix-isolated group IIIA dimers: Ga2, In2, Tl2

Cited by 86 publications

References 5 publications

Comparative study of spectroscopic properties of some indium, tin and antimony compounds

Comparative study of spectroscopic properties of some indium, tin and antimony compounds

Ab initio MRD-CI study of neutral and charged Ga2, Ga3 and Ga4 clusters and comparison with corresponding boron and aluminum clusters

Characterization of Isolated Ga2 Molecules by Resonance Raman Spectroscopy and Variations of GaGa Bonding

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Characterization of Isolated Ga₂ Molecules by Resonance Raman Spectroscopy and Variations of GaGa Bonding