The supersonic expansion of pure copper vapor

Preuss, D. R.; Pace, Steven; Gole, James L.

doi:10.1063/1.438811

Cited by 82 publications

(15 citation statements)

References 16 publications

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“…The coinage group dimers are most well studied molecules due to a large variety of production methods and the simple closed d-shell configuration in the atomic ground state. [36][37][38][39][40][41][42][43] Extensive investigations on Ni 2 and Pt 2 have also been reported both experimentally and theoretically. 31,[44][45][46][47][48][49][50][51][52] For the transition metals, it is generally recognized that the size of the nd and (n+1)s orbitals change as one moves across the periodic table from left to right: the nd orbitals contract more heavily than the (n+1)s orbital.…”

Section: Resultsmentioning

confidence: 99%

Electronic transitions of palladium dimer

Qian

Chen

et al. 2013

The Journal of Chemical Physics

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The laser induced fluorescence spectrum of palladium dimer (Pd2) in the visible region between 480 and 700 nm has been observed and analyzed. The gas-phase Pd2 molecule was produced by laser ablation of palladium metal rod. Eleven vibrational bands were observed and assigned to the [17.1](3)Πg-X(3)Σu(+) transition system. The bond length (ro) and vibrational frequency (ΔG1∕2) of the ground X(3)Σu(+) state were determined to be 2.47(4) Å and 211.4(5) cm(-1), respectively. A molecular orbital energy level diagram was used to understand the observed ground and excited electronic states. This is the first gas-phase experimental investigation of the electronic transitions of Pd2.

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Section: Resultsmentioning

confidence: 99%

Electronic transitions of palladium dimer

Qian

Chen

et al. 2013

The Journal of Chemical Physics

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“…With the goal of spectroscopic characterization, naked metal clusters in the absence of ligands are now being produced in the gas phase (9)(10)(11)(12) and through diffusion-controlled clustering in rare gas matrices (13)(14)(15)(16)(17)(18)(19). Although these experimental studies can provide detailed structural information, progress has been slowed by difficulties in making and correlating the measurements.…”

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confidence: 99%

Theoretical prediction of the vibrational spectra of group IB trimers

Richtsmeier

Gole

Dixon

1980

Proc. Natl. Acad. Sci. U.S.A.

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The molecular structures of the group IB trimers, Cu 3 , Ag 3 , and Au 3 , have been determined by using the semi-empirical diatomics-in-molecules theory. The trimers are found to have C 2v symmetry with bond angles between 65° and 80°. The trimers are bound with respect to dissociation to the asymptotic limit of an atom plus a diatom. The binding energies per atom for Cu 3 , Ag 3 , and Au 3 are 1.08, 0.75, and 1.16 eV, respectively. The vibrational frequencies of the trimers have been determined for comparison with experimental results. The vibrational frequencies are characterized by low values for the bending and asymmetric stretch modes. The frequency of the symmetric stretch of the trimer is higher than the stretching frequency of the corresponding diatomic. A detailed comparison of the theoretical results with the previously measured Raman spectra of matrix isolated Ag 3 is presented.

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“…The results of gas-phase studies on molecular beams of Cu, by resonant two-photon ionization (R2PI) and other techniques also cannot be fitted to a simple potential model based on a completely fluxional ground-state trimer, thus confirming the matrix isolation results although the barriers to pseudorotation are estimated to be very small (<2.6 kJ mol-'). [30][31][32] If correct, these imply that matrix perturbations considerably enlarge the barriers to pseudo-rotation. Matrix effects as small as 2.4 kJ mo1-l would be sufficient to stabilize these trimers in their static configurations on the EPR time-scale.…”

Section: Trimers Of the Coinage Metalsmentioning

confidence: 99%

Magnetic characterization of the geometry and chemistry of small metal clusters

Mile

Sillman

1995

Magnetic Reson in Chemistry

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The application of electron paramagnetic resonance (EPR) spectroscopy in determining the geometric and electronic structures of small naked clusters, M,, of the alkali and coinage metals (n < 9) is assessed. The EPR spectra and the paramagnetic parameters derived therefrom provide stringent tests of quantitative molecular orbital calculations. Perturbations of the cluster shape by interaction with substrate molecules are readily detected and have a bearing on the dynamic nature of the active sites of heterogeneous catalysts. Previous studies of the metal trimers in hydrocarbon matrices are extended to the preparation of an unusual acute Na, cluster associated with water and the heteronuclear clusters Na,Li and Au,Ag. Both adopt static obtuse 'B, geometries and show no fluxionality, in contrast to the homonuclear pseudo-rotating Jahn-Teller clusters Li, and Na, . There is a reversal in paramagnetic parameters in the series Cu, , Ag, , Au, which is due in part to the emergence of relativistic effects because of the high charge on the gold nucleus. The first ENDOR spectrum is reported of a metal cluster Li, , the parameters fitting exactly those determined from the more complex EPR spectrum of Li,. A new heteronuclear septameric species, Na,K, , has been examined which has the pentagonal bipyramidal structure seen for homonudear septamer clusters. There is an unpaired spin density of 0.41 on the apical sodium nuclei with only 0.004 a t the basal potassium nuclei.

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The supersonic expansion of pure copper vapor

Cited by 82 publications

References 16 publications

Electronic transitions of palladium dimer

Electronic transitions of palladium dimer

Theoretical prediction of the vibrational spectra of group IB trimers

Magnetic characterization of the geometry and chemistry of small metal clusters

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