Angular Distribution of Photoelectrons

Cooper, J.; Zare, Richard N.

doi:10.1063/1.1668742

Cited by 934 publications

(523 citation statements)

References 10 publications

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“…44 A rotatable half-wave plate controls the direction of the electric field vector of the laser beam. The differential cross section for photodetachment is expressed as follows: 45 dσ dΩ ¼ σ 0 4π ð1 þ βP 2 ðcos θÞÞ ð5Þ…”

Section: Experimental and Theoretical Methodsmentioning

confidence: 99%

Photoelectron Spectroscopic Study of the Oxyallyl Diradical

et al. 2011

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ABSTRACT:The photoelectron spectrum of the oxyallyl (OXA) radical anion has been measured. The radical anion has been generated in the reaction of the atomic oxygen radical anion (O •-) with acetone. Three low-lying electronic states of OXA have been observed in the spectrum. Electronic structure calculations have been performed for the triplet states ( 3 B 2 and 3 B 1 ) of OXA and the ground doublet state ( 2 A 2 ) of the radical anion using density functional theory (DFT). Spectral simulations have been carried out for the triplet states based on the results of the DFT calculations. The simulation identifies a vibrational progression of the CCC bending mode of the 3 B 2 state of OXA in the lower electron binding energy (eBE) portion of the spectrum. On top of the 3 B 2 feature, however, the experimental spectrum exhibits additional photoelectron peaks whose angular distribution is distinct from that for the vibronic peaks of the 3 B 2 state. Complete active space selfconsistent field (CASSCF) method and second-order perturbation theory based on the CASSCF wave function (CASPT2) have been employed to study the lowest singlet state ( 1 A 1 ) of OXA. The simulation based on the results of these electronic structure calculations establishes that the overlapping peaks represent the vibrational ground level of the 1 A 1 state and its vibrational progression of the CO stretching mode. The 1 A 1 state is the lowest electronic state of OXA, and the electron affinity (EA) of OXA is 1.940 ( 0.010 eV. The 3 B 2 state is the first excited state with an electronic term energy of 55 ( 2 meV. The widths of the vibronic peaks of theX 1 A 1 state are much broader than those of theã 3 B 2 state, implying that the 1 A 1 state is indeed a transition state. The CASSCF and CASPT2 calculations suggest that the 1 A 1 state is at a potential maximum along the nuclear coordinate representing disrotatory motion of the two methylene groups, which leads to three-membered-ring formation, i.e., cyclopropanone. The simulation ofb 3 B 1 OXA reproduces the higher eBE portion of the spectrum very well. The term energy of the 3 B 1 state is 0.883 ( 0.012 eV. Photoelectron spectroscopic measurements have also been conducted for the other ion products of the O •-reaction with acetone. The photoelectron imaging spectrum of the acetylcarbene (AC) radical anion exhibits a broad, structureless feature, which is assigned to theX 3 A 00 state of AC. The ground ( 2 A 00 ) and first excited ( 2 A 0 ) states of the 1-methylvinoxy (1-MVO) radical have been observed in the photoelectron spectrum of the 1-MVO ion, and their vibronic structure has been analyzed.

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Section: Experimental and Theoretical Methodsmentioning

confidence: 99%

Photoelectron Spectroscopic Study of the Oxyallyl Diradical

et al. 2011

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“…27 Although for large molecular systems such as TCNQ, it is generally difficult to extract quantitatively meaningful information, Sanov and co-workers have demonstrated an elegant qualitative method to gain insight into the detachment process for relatively slow photoelectrons. 10b At low kinetic energies, the Wigner threshold law dictates that the outgoing PE wave is dominated by low angular momentum (l) partial waves, specifically, s-and p-waves (l = 0 and 1, respectively).…”

Section: A Photoelectron Angular Distributionsmentioning

confidence: 99%

“…This interference may manifest itself as a modulation on the energy spectrum 31 or may alter the observed PADs. 27 The latter will depend on the relative phases and amplitudes of outgoing partial waves formed.…”

Section: S T T S T Tmentioning

confidence: 99%

Ultrafast Relaxation Dynamics Observed Through Time-Resolved Photoelectron Angular Distributions

et al. 2010

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“…A common feature of spin polarization formulae is that the denominator is proportional to the total number of electrons produced, i.e. in this case to the differential cross section [3]:…”

Section: Introductionmentioning

confidence: 99%

“…The comparison is made with a view to learning the relative importance of relativistic and correlation effects. The first prediction of the general behavior of the asymmetry parameter fi in photoionization of d-subshells was made by Manson [1,2] from a nonrelativistic central-potential model calculation using the Cooper-Zare [3] formula. The relativistic treatment for the Hg 5d 1~ subshell was carried out by Walker et al [4] and Walker and Waber [5].…”

Section: Introductionmentioning

confidence: 99%

Angle- and spin-resolved photoelectron spectroscopy of the Hg 5d 10 subshell

Schönhense¹,

Schäfers²,

Heinzmann³

et al. 1982

Z Physik A

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Parameters describing electron spin polarization in Hg 5d *~ subshell photoionization have been measured at rare-gas resonance wavelengths between 73.59 nm and 30.38 nm. The spin parameters as well as asymmetry parameters fi of a recent measurement are discussed in comparison with both nonrelativistic and relativistic ab initio calculations of several authors. The importance of many-electron correlations and spin-orbit coupling effects is considered.

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Angular Distribution of Photoelectrons

Cited by 934 publications

References 10 publications

Photoelectron Spectroscopic Study of the Oxyallyl Diradical

Photoelectron Spectroscopic Study of the Oxyallyl Diradical

Ultrafast Relaxation Dynamics Observed Through Time-Resolved Photoelectron Angular Distributions

Angle- and spin-resolved photoelectron spectroscopy of the Hg 5d 10 subshell

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