The measurements of vibrational intensity in the photoelectron spectra of oxygen for the ionic ground state

1976 ◽  
Vol 80 (26) ◽  
pp. 2829-2834 ◽  
Author(s):  
P. Natalis
Keyword(s):  
Ground State ◽  
Photoelectron Spectra

VUV FRAGMENTATION OF SOME HYDROFLUOROCARBON CATIONS STUDIED USING COINCIDENCE TECHNIQUES

2002 ◽  
Vol 09 (01) ◽  
pp. 153-158 ◽  
Author(s):  
WEIDONG ZHOU ◽  
D. P. SECCOMBE ◽  
R. Y. L. CHIM ◽  
R. P. TUCKETT
Keyword(s):  
Kinetic Energy ◽  
Ab Initio ◽  
Ground State ◽  
Lower Energy ◽  
Lone Pair ◽  
Electronic States ◽  
Photoelectron Spectra ◽  
Highest Occupied Molecular Orbital ◽  
Impulsive Model ◽  
Lone Pair Electrons

Threshold photoelectron–photoion coincidence (TPEPICO) spectroscopy has been used to investigate the decay dynamics of the valence electronic states of the parent cation of several hydrofluorocarbons (HFC), based on fluorine-substituted ethane, in the energy range 11–25 eV. We present data for CF 3– CHF 2, CF 3– CH 2 F , CF 3– CH 3 and CHF 2– CH 3. The threshold photoelectron spectra (TPES) of these molecules show a common feature of a broad, relatively weak ground state, associated with electron removal from the highest-occupied molecular orbital (HOMO) having mainly C–C σ-bonding character. Adiabatic and vertical ionisation energies for the HOMO of the four HFCs are presented, together with corresponding values from ab initio calculations. For those lower-energy molecular orbitals associated with non-bonding fluorine 2pπ lone pair electrons, these electronic states of the HFC cation decay impulsively by C–F bond fission with considerable release of translational kinetic energy. Appearance energies are presented for formation of the daughter cation formed by such a process (e.g. CF 3– CHF +), together with ab initio energies of the corresponding dissociation channel (e.g. CF 3– CHF + + F ). Values for the translational kinetic energy released are compared with the predictions of a pure-impulsive model.

On the measurements of vibrational intensity in the photoelectron spectra of NO for the ionic ground state

1977 ◽  
Vol 11 (4) ◽  
pp. 417-429 ◽  
Author(s):  
P. Natalis ◽  
J. Delwiche ◽  
J.E. Collin ◽  
G. Caprace ◽  
M.-Th. Praet
Keyword(s):  
Ground State ◽  
Photoelectron Spectra

Resonant inner-shell photoelectron spectra of ground-state and laser-excited Cr atoms

1996 ◽  
Vol 29 (20) ◽  
pp. 4641-4658 ◽  
Author(s):  
Th Dohrmann ◽  
A von dem Borne ◽  
A Verweyen ◽  
B Sonntag ◽  
M Wedowski ◽  
...  
Keyword(s):  
Ground State ◽  
Photoelectron Spectra

A Photoelectron Investigation of the Peroxide Bond

1975 ◽  
Vol 53 (22) ◽  
pp. 3439-3447 ◽  
Author(s):  
R. S. Brown
Keyword(s):  
Dihedral Angle ◽  
Ground State ◽  
Vibrational Frequencies ◽  
Molecular Orbitals ◽  
Photoelectron Spectra ◽  
Raman Spectroscopic ◽  
Orbital Interactions ◽  
Highest Occupied Molecular Orbitals ◽  
Peroxide Bond

The photoelectron spectra of several peroxides and their interpretation is presented. The effects of substituents is separated from vicinal orbital interactions using as a guideline the effect of similar substitution on the ether analogues. It is found that by comparison of Raman spectroscopic frequencies of the peroxide ground state, and vibrational frequencies for the ion (via pes), that the HOMO of peroxides is antibonding with respect to the O—O linkage. Additionally, the dependence of the splitting of the two highest occupied molecular orbitals on dihedral angle is verified by the pe spectra of several well-defined cyclic peroxides. Finally, the pe spectrum of tetramethyl-1,2-dioxacyclobutane (tetramethyl dioxetane) is presented indicating that it is not unlike other cyclic peroxides.

Study of In2P/In2P− and InP2/InP2− using negative ion zero electron kinetic energy spectroscopy

1994 ◽  
Vol 72 (11-12) ◽  
pp. 1322-1335 ◽  
Author(s):  
Caroline C. Arnold ◽  
Daniel M. Neumark
Keyword(s):  
Excited State ◽  
Kinetic Energy ◽  
Ground State ◽  
Photoelectron Spectra ◽  
Negative Ion ◽  
Electron Affinities ◽  
Electron Kinetic Energy ◽  
First Excited State ◽  
State Frequency ◽  
Term Energy

The zero electron kinetic energy (ZEKE) spectra of In2P− and InP2− are presented and compared to their previously obtained photoelectron spectra (PES) as well as ab initio calculations on analogous species. The threshold spectra, which give high-accuracy electron affinities of 2.400 ± 0.001 eV for In2P and 1.617 ± 0.001 eV for InP2, show well-resolved vibrational structure in the transitions from the ground anion states to the various neutral states. The ZEKE spectrum of In2P− exhibits a fairly extended, 47 cm−1 progression that we assign to the symmetric bend (ν2) in the ground 2B2 neutral state. There is also a 204 cm−1 progression that we assign to the symmetric stretch. The InP2− ZEKE spectrum shows transitions to two electronic states of the neutral. For the ground state, the symmetric stretch mode is the most active in the spectrum, whereas in the excited state, the symmetric bend mode is most active. The InP2 ground-state symmetric stretch frequency is 190 cm−1, and the excited-state symmetric bend frequency is 287 cm−1. An anion ground-state frequency is determined to be 227 cm−1. The term energy of the excited state is determined to be 1.280 ± 0.001 eV. Based on molecular orbital arguments, these frequencies suggest a 2B2 ground InP2 state, a 2A1 first excited state, and a 1A1 anion ground state.

THE HYLLERAAS BINDING ENERGY OF HYDRIDE AND ELECTRON AFFINITIES

2013 ◽  
Vol 12 (04) ◽  
pp. 1350016 ◽  
Author(s):  
EDWARD S. CHEN ◽  
EDWARD C. M. CHEN
Keyword(s):  
Binding Energy ◽  
Electron Affinity ◽  
Ground State ◽  
Photoelectron Spectra ◽  
Negative Ion ◽  
Electron Affinities ◽  
Thermal Electron ◽  
Homonuclear Diatomic Molecules ◽  
Correlation Rules ◽  
Three Body

The normalized electron affinity of the hydrogen atom, is the fundamental measure of anionic electron correlation. The three-body H (−) and AB(−) systems analogous to Efimov three-body bosons support multiple excited states. The first complete set of ground state electron affinities of the main group atoms and homonuclear diatomic molecules are reported using the Hylleraas variational binding energy of the hydride anion. Thermal electron affinities and activation energies for the formation of the 27 bonding states of O 2(−) are reported from electron capture detector and atmospheric pressure negative ion mass spectrometry. These are iterated through magnetron, flame, swarm, electron impact, photodetachment, and negative ion photoelectron spectra to obtain more precise self-consistent values. Electron affinities for NO are similarly reported. These data are used to calculate Herschbach ionic Morse Person electron curves for the 54 O 2(−) and 87 NO (−) states predicted by adiabatic correlation rules. A new ground state adiabatic electron affinity of SF6 3.00(10) eV is determined from negative ion mass spectra.

Photoelectron spectra of ground state atomic hydrogen, nitrogen and oxygen

1970 ◽  
Vol 7 (5) ◽  
pp. 497-499 ◽  
Author(s):  
N. Jonathan ◽  
A. Morris ◽  
D.J. Smith ◽  
K.J. Ross
Keyword(s):  
Ground State ◽  
Atomic Hydrogen ◽  
Photoelectron Spectra

Structural assignment, and electronic and magnetic properties of lanthanide metal doped silicon heptamers Si7M0/− with M = Pr, Gd and Ho

2016 ◽  
Vol 18 (45) ◽  
pp. 31054-31063 ◽  
Author(s):  
Tran Dieu Hang ◽  
Huynh Minh Hung ◽  
Minh Tho Nguyen
Keyword(s):  
Magnetic Properties ◽  
Ground State ◽  
Quantum Chemical ◽  
Photoelectron Spectra ◽  
Silicon Clusters ◽  
Electronic And Magnetic Properties ◽  
Structural Assignment ◽  
Doped Silicon ◽  
Lanthanide Metal ◽  
Metal Doped

The ground state geometries of neutral and anionic lanthanide-metal-doped silicon clusters Si7M0/− with M = Pr, Gd and Ho were determined by quantum chemical (DFT) computations and the previous experimental photoelectron spectra were assigned.

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