The infrared photodissociation spectra of Fe<i>n</i>(CH3OH)<i>m</i> complexes and their deuterated analogs near 10μ

Knickelbein, Mark B.

doi:10.1063/1.471014

Cited by 32 publications

(19 citation statements)

References 28 publications

(24 reference statements)

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“…The experimental apparatus and methods used to record infrared photodissociation spectra have been described in detail previously . Briefly, clusters of copper, silver, or gold atoms were generated by pulsed laser vaporization from a target of the corresponding pure metal within a continuous-flow cluster source.…”

Section: Experimental Methodsmentioning

confidence: 99%

Infrared Studies of the Interaction of Methanol with Cu_n, Ag_n, and Au_n

Knickelbein

Koretsky

1998

J. Phys. Chem. A

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Methanol (Me) adsorbs intact on copper, silver, and gold clusters at 70 K to form the complexes Cu n Me m , Ag n Me m , and Au n Me m , respectively. The infrared photodissociation spectra of the deuterium-substituted complexes M n (CD 3 OH) m and M n (CD 3 OD) m (M n ) Cu 3-11 , Ag 3-22 , and Au 3-13 ) have been recorded in the 9-11 µm region. The methanol C-O stretching band frequency is invariant with cluster size and depends only slightly on the metal of which the underlying cluster is composed, indicating that local interactions are responsible for the shift from the gas-phase value and that these interactions are similar for methanol adsorbed on clusters of all three metals. Progressive blue shifts of the depletion bands of Ag n Me m and Au n Me m with increasing m indicate a strong interaction among methanol ligands in these species.

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Section: Experimental Methodsmentioning

confidence: 99%

Infrared Studies of the Interaction of Methanol with Cu_n, Ag_n, and Au_n

Knickelbein

Koretsky

1998

J. Phys. Chem. A

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“…For these species, n-independent constant red-shifts ͑in the range of only 15 to a most 40 cm Ϫ1 ) have been observed. 25,26 In this article and its preceding experimental complement, 27 more complete investigations and analyses of these findings are presented. Here, we start in Sec.…”

Section: Introductionmentioning

confidence: 99%

The interaction of gold clusters with methanol molecules: Ab initio molecular dynamics of Aun+CH3OH and AunCH3OH

Rousseau

Marx

2000

The Journal of Chemical Physics

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Two worlds collide: Image analysis methods for quantifying structural variation in cluster molecular dynamics J. Chem. Phys. 140, 064102 (2014); 10.1063/1.4864753The interaction of gold clusters with methanol molecules: Infrared photodissociation of mass-selected Au n + (CH 3 OH) m Molecular dynamics study of the Ag 6 cluster using an ab initio many-body model potential Structural, dynamical, and electronic properties of adducts obtained by adsorbing one methanol molecule onto charged and neutral gold clusters, Au n ϩ -CH 3 OH and Au n -CH 3 OH, are investigated using Car-Parrinello ab initio molecular dynamics as a function of the cluster size n. The absorption process occurs by the formation of a Au Ã -O coordination bond to one particular gold atom Au Ã without altering the structure of the underlying cluster. This chemical bond is much stronger for the charged metal clusters Au n ϩ than for the neutral analogs Au n . In the charged case, the C-O stretching vibration of the interacting methanol molecule is found to increase discontinuously as the underlying cluster structure changes from two-dimensional to three-dimensional. The weaker C-O bond in the neutral species however has ''insufficient strength'' to be sensitive to changes in coordination number and cluster structure. This leads to a constant C-O stretching frequency as the size of the cluster increases, including the regime where the Au n cluster changes from planar to three-dimensional.

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“…25 Briefly, iron clusters, Fe n , were generated by pulsed laser vaporization from an isotopically enriched ͑Ͼ99%͒ 56 Fe target. Cluster cooling and growth occurred in 20-25 Torr of helium carrier gas flowing within a 7.6 cm ϫ 0.32 cm ͑length ϫ inner diameter͒ flow tube maintained at 70-300 K. The iron cluster-hydrogen ͑deuterium͒ complexes were formed by adding 5%-15% hydrogen ͑deute-rium͒ to the helium flow stream 3 cm downstream of the target rod.…”

Section: Experimental Methodsmentioning

confidence: 99%

“…͑2͒ from D( )and F( ) measured at discrete frequencies throughout the 885-1090 cm Ϫ1 region. 35 The photodissociation action spectra of Fe n H m (H 2 ) p and Fe n D m (D 2 ) p (nϭ9 -20͒ are shown in Figs. 4-6.…”

Section: B Infrared Photodissociation Spectramentioning

confidence: 99%

Hydrogenated and deuterated iron clusters: Infrared spectra and density functional calculations

Knickelbein

Koretsky

Jackson

et al. 1998

The Journal of Chemical Physics

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Iron clusters react sequentially with hydrogen molecules to form multiply hydrogenated products. The increases in cluster ionization potential upon reaction verify that hydrogen chemisorbs dissociatively to form iron cluster-hydride complexes, Fe n H m . At low source temperatures, the cluster-hydride complexes take up additional hydrogen molecules which are shown to be physisorbed onto the underlying Fe n H m complexes to form Fe n H m (H 2 ) p species. The infrared spectra of Fe n H m and Fe n D m ͑nϭ9 -20) were obtained by the photodissociation action spectroscopic method in which depletion of the Fe n H m (H 2 ) p and Fe n D m (D 2 ) p species was the signature of absorption. The spectra, recorded in the 885-1090 cm Ϫ1 region, consist of several overlapping bands, each approximately 20 cm Ϫ1 in width. The dissimilarity of each Fe n H m (H 2 ) p spectrum with the corresponding Fe n D m (D 2 ) p spectrum indicates that the carrier involves hydrogen and is not merely due to absorption by the underlying iron cluster. Density functional calculations were performed on model complexes, Fe 13 H 14 and Fe 13 D 14 , the iron portion of which was assumed to have T h symmetry. The infrared-active vibrational frequencies involving hydrogen bending and deuterium stretching are predicted to lie within the experimental frequency range of the experiment, well removed from the skeletal modes of the underlying iron cluster. The complexity of the observed spectra as compared to simulations based on the assumed ͑high-symmetry͒ model imply that the experimentally produced complexes possess low symmetry.

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The infrared photodissociation spectra of Fen(CH3OH)m complexes and their deuterated analogs near 10μ

Cited by 32 publications

References 28 publications

Infrared Studies of the Interaction of Methanol with Cu_n, Ag_n, and Au_n

Infrared Studies of the Interaction of Methanol with Cu_n, Ag_n, and Au_n

The interaction of gold clusters with methanol molecules: Ab initio molecular dynamics of Aun+CH3OH and AunCH3OH

Hydrogenated and deuterated iron clusters: Infrared spectra and density functional calculations

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The infrared photodissociation spectra of Fen(CH3OH)m complexes and their deuterated analogs near 10μ

Cited by 32 publications

References 28 publications

Infrared Studies of the Interaction of Methanol with Cun, Agn, and Aun

Infrared Studies of the Interaction of Methanol with Cun, Agn, and Aun

The interaction of gold clusters with methanol molecules: Ab initio molecular dynamics of Aun+CH3OH and AunCH3OH

Hydrogenated and deuterated iron clusters: Infrared spectra and density functional calculations

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Infrared Studies of the Interaction of Methanol with Cu_n, Ag_n, and Au_n

Infrared Studies of the Interaction of Methanol with Cu_n, Ag_n, and Au_n