Negative ions, mass selection, and photoelectrons

Boesl, U.; Knott, W. J.

doi:10.1002/(sici)1098-2787(1998)17:4<275::aid-mas2>3.0.co;2-#

Cited by 38 publications

(25 citation statements)

References 163 publications

(173 reference statements)

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“…In the case of experiments on size-selected cluster ions, ionization process is included in a part of production. 11,13 In the production of cluster anions, a method of electron attachment early in the supersonic expansion is widely used, 3,13 because cluster growth, reorganization, and cooling after electron attachment can be promoted by multiple collisions in the highdensity zone of the expanding jet. As depicted in Fig.…”

Section: Experimental Methodologymentioning

confidence: 99%

“…The outstanding virtues of anion photoelectron spectroscopy are its capability 1) to allow mass selection prior to photodetachment, which is extremely difficult in conventional photoelectron spectroscopy via cation neutral transitions, 2) to measure directly the electron affinities of isolated molecules 13,[85][86][87][88][89][90] and their clusters with a high precision, and 3) to probe the excited states of neutral molecules. 13,[85][86][87][88][89] In particular, the ''dark'' optically forbidden electronic states (e.g., excited triplet states) of neutral molecules are accessible via a one-electron photodetachment transition from the corresponding anion ground state. Figure 5 illustrates a schematic diagram of our anion photoelectron spectroscopy apparatus 56,91 which consists of three parts: a cluster anion source, an in-line Wiley-McLaren TOF-MS (M=ÁM % 200), and a magnetic-bottle-type electron energy analyzer.…”

Section: Experimental Methodologymentioning

confidence: 99%

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Formation of Large Molecular Cluster Anions and Elucidation of Their Electronic Structures

Mitsui¹,

Nakajima²

2007

Bulletin of the Chemical Society of Japan

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The present account describes our efforts to understand the microscopic aspects of condense phase phenomena, such as ion solvation in molecular liquids and charge carrier localization in molecular solids, by viewing finite-size molecular clusters as their embryonic forms. In this effort, we efficiently prepared supersonically cooled, isolated molecular cluster anions with up to more than 100 constituent molecules and size-selectively investigated their electronic structures using anion photoelectron spectroscopy. Large anionic clusters of two different types of organic molecule; acetonitrile and naphthalene reported as examples of the noteworthy results obtained in our studies. In these two systems, we found that energetically close anionic isomers coexist over a broad range in size, and their contribution in the photoelectron spectra could be separated using anion beam hole-burning technique. A detailed inspection into the electronic states and size-dependent energetics of each isomer has enabled us to establish a link from the large finite cluster to the infinite bulk system. Molecular clusters are finite aggregates consisting of 2-10 4 molecules and have been regarded as an excellent model system to use for gaining profound insights into weak noncovalent interactions, which play a predominant role in determining the structures and properties of molecular assemblies in chemistry, biology, and soft-material science. In molecular clusters, most of the properties originate from weakly perturbed, easily recognized, and well-defined units. Additionally, the finite number of molecules in the gas phase under collisionfree conditions makes a theoretical treatment much easier than that of bulk liquids and solids. Over the last two decades, therefore, intensive experimental and theoretical studies on molecular clusters have been performed, and a large number of review articles on the spectroscopic study of molecular clusters have been published in last twenty years.

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Section: Experimental Methodologymentioning

confidence: 99%

Section: Experimental Methodologymentioning

confidence: 99%

Formation of Large Molecular Cluster Anions and Elucidation of Their Electronic Structures

Mitsui¹,

Nakajima²

2007

Bulletin of the Chemical Society of Japan

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“…[1][2][3][4] Owing to recent technical developments, the broad range of PE methods is entering a number of scientific fields offering new insights into longstanding problems. [1][2][3][4] Owing to recent technical developments, the broad range of PE methods is entering a number of scientific fields offering new insights into longstanding problems.…”

Section: Introductionmentioning

confidence: 99%

Photoelectron spectroscopy of the Cl−…H2∕D2 anions: A model beyond the rotationless and Franck–Condon approximations

Grinev

Buchachenko

2008

The Journal of Chemical Physics

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A model for simulating photoelectron spectra of the triatomic van der Waals complexes containing stable atomic anion and diatomic molecule is proposed and applied to the Cl(-)...H(2) and Cl(-)...D(2) anions. The model assumes adiabatic separation of the electronic and nuclear motions and localization of the photodetachment act at the atomic chromophore. Under these approximations, the electronic transition dipole moment matrix elements are evaluated using the atoms-in-molecule approach and explicit expressions for the rovibrational line strength factors are derived. The energies and intensities of a number of rovibronic photoelectron transitions are calculated for the Cl(-)...H(2) and Cl(-)...D(2) anions within the adiabatic bender model, i.e., with the full separation of the vibrational motions, whereas the simulations of the broad spectral envelopes are performed using the equilibrium conditions, asymmetric line shape function, and two choices of the relative abundances of the para- and ortho-forms of the complex. The simulations reproduce experimental spectra reasonably well allowing for their unambiguous assignment in terms of vibronic transitions fully consistent with the previous time-dependent calculations. Agreement with the previous theoretical works, manifestations of non-Franck-Condon effects, and implications to the assessment of the neutral potential energy surfaces are discussed.

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“…2 Different gas phase experimental techniques have been employed in such studies, ranging from mass spectrometry to photoelectron imaging. 2 Different gas phase experimental techniques have been employed in such studies, ranging from mass spectrometry to photoelectron imaging.…”

Section: Introductionmentioning

confidence: 99%

Infrared spectra of HC2−∙(C2H2)n and O2−∙(C2H2)n clusters (n=2–5)

Schneider

Weber

2006

The Journal of Chemical Physics

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We study the solvation of HC2- and O2- with acetylene ligands by means of midinfrared photodissociation spectroscopy in the CH stretching region, monitoring C2H2 evaporation upon infrared photon absorption by the parent cluster ions. Our findings are interpreted with the help of density functional theory. The infrared spectra indicate that while the binding generally occurs through ionic H bonds, there are two different classes of ligands which differ in their binding strength. This holds true for both core ions, even though their electronic structures and charge distributions are very different.

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Negative ions, mass selection, and photoelectrons

Cited by 38 publications

References 163 publications

Formation of Large Molecular Cluster Anions and Elucidation of Their Electronic Structures

Formation of Large Molecular Cluster Anions and Elucidation of Their Electronic Structures

Photoelectron spectroscopy of the Cl−…H2∕D2 anions: A model beyond the rotationless and Franck–Condon approximations

Infrared spectra of HC2−∙(C2H2)n and O2−∙(C2H2)n clusters (n=2–5)

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