Abstract:Articles you may be interested inPhotoelectron spectroscopy and ab initio calculations of small SinSm − (n = 1,2; m = 1-4) clusters Photoelectron imaging of carbonyl sulfide cluster anions: Isomer coexistence and competition of excited-state decay mechanisms
“…For example, Surber and Sanov 48 noted the diminution of near-threshold transitions compared to FranckCondon intensities in the CS 2 − imaging photoelectron spectrum. This effect is also evident in the present experiments, as may be seen by comparing the relative intensities of the 0 ← 0 and 1 ← 0 NO 2 wagging transitions in the spectra in Fig.…”
Section: Franck-condon Analysis Of the Pe Spectrum Of Ch 3 No 2 −mentioning
We present low-energy velocity map photoelectron imaging results for nitromethane anions. The photoelectron spectrum is interpreted with the aid of ab initio theory and Franck-Condon factor calculations. We obtain a new value for the adiabatic electron affinity of nitromethane of ͑172Ϯ 6͒ meV and observe the dipole-bound state of nitromethane. The photoelectron angular distributions of the observed features are discussed in the context of threshold laws for photodetachment.
“…For example, Surber and Sanov 48 noted the diminution of near-threshold transitions compared to FranckCondon intensities in the CS 2 − imaging photoelectron spectrum. This effect is also evident in the present experiments, as may be seen by comparing the relative intensities of the 0 ← 0 and 1 ← 0 NO 2 wagging transitions in the spectra in Fig.…”
Section: Franck-condon Analysis Of the Pe Spectrum Of Ch 3 No 2 −mentioning
We present low-energy velocity map photoelectron imaging results for nitromethane anions. The photoelectron spectrum is interpreted with the aid of ab initio theory and Franck-Condon factor calculations. We obtain a new value for the adiabatic electron affinity of nitromethane of ͑172Ϯ 6͒ meV and observe the dipole-bound state of nitromethane. The photoelectron angular distributions of the observed features are discussed in the context of threshold laws for photodetachment.
“…At higher detachment photon energies, the anisotropy was also observed to decrease because of the increased kinetic energies of the outgoing electrons. 89 Even though photoelectron angular distributions are governed by partial wave interferences of the outgoing electron for neutral or singly charged anions, 86 classical electrostatic effects dominate in MCAs and seem to have smeared out any quantum effects. Using the three isomers of benzene dicarboxylate dianions [o-, m-, p-C 6 H 4 (CO 2 ) 2 2− ], we showed that the PE angular distributions were quite sensitive to the locations of the extra charges, 91 suggesting that PE imaging may allow structural information to be obtained for complex MCAs.…”
Section: Photoelectron Imaging Of Multiply-charged Anions: the Imentioning
confidence: 99%
“…38,[81][82][83][84] The strong intramolecular Coulomb repulsion not only influences the energetics and stability of MCAs, but it is also expected to strongly influence the electron emission dynamics, which can be investigated using PE imaging by measuring the photoelectron angular distribution. [85][86][87] The first PE imaging on MCAs was done on a series of linear aliphatic dicar- [88][89][90] which were expected to display strong anisotropy in the PE angular distribution. Because photoemission took place from one end of the MCAs, the outgoing electron was expected to be pushed to peak along the axis of the molecules.…”
Section: Photoelectron Imaging Of Multiply-charged Anions: the Imentioning
We have developed a multi-agent quantum Monte Carlo model to describe the spatial dynamics of multiple majority charge carriers during conduction of electric current in the channel of organic field-effect transistors. The charge carriers are treated by a neglect of diatomic differential overlap Hamiltonian using a lattice of hydrogen-like basis functions. The local ionization energy and local electron affinity defined previously map the bulk structure of the transistor channel to external potentials for the simulations of electron- and hole-conduction, respectively. The model is designed without a specific charge-transport mechanism like hopping- or band-transport in mind and does not arbitrarily localize charge. An electrode model allows dynamic injection and depletion of charge carriers according to source-drain voltage. The field-effect is modeled by using the source-gate voltage in a Metropolis-like acceptance criterion. Although the current cannot be calculated because the simulations have no time axis, using the number of Monte Carlo moves as pseudo-time gives results that resemble experimental I/V curves.
“…The most straightforward 2D imaging technique is photoelectron velocity-map imaging (VMI), 98 a variant of the elegant photofragment imaging method developed by Chandler and Houston. 99 Photoelectron VMI was first demonstrated by Eppink and Parker for neutrals 98,100 and by Bordas 101 and Sanov 102 for negative ions. Typically, a strong electric field projects nascent charged particles onto a microchannel plate (MCP) detector.…”
Section: Photoelectron Spectroscopy Of Neutrals and Anionsmentioning
confidence: 99%
“…This experiment is the first application of rotational coherence spectroscopy to an anion. Furthermore, qualitative analysis of the anisotropy oscillation in reference to molecular alignment following a parallel transition in a simple diatomic, guided by ideas put forth by Sanov, 102 Reed, 269 and Reid and Underwood, 60 provides some insight into the molecular-frame detachment process, indicating a detachment wave with larger amplitude perpendicular rather than parallel to the molecular axis.…”
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