Photoautoionization structure in the halogen systems Br2, I2, BrCl, ICl, and IBr

2011 ◽  
Vol 89 (3) ◽  
pp. 289-296 ◽  
Author(s):  
Andrew J. Yencha ◽  
Devinder Kaur
Keyword(s):  
Potential Energy ◽  
Rydberg States ◽  
Molecular Ions ◽  
Spin Orbit ◽  
Shape Functions ◽  
Ionization Region ◽  
Gaussian Line Shape ◽  
Condon Factors ◽  
Franck Condon ◽  
Gaussian Line

The photoabsorption ion-yield spectra of the titled molecules have been recorded in the threshold ionization region between the two spin-orbit components of the ground states of the molecular ions. All ion-yield spectra display rather simple autoionization structure superimposed on a smoothly rising continuum in the ionization energy region. The structure was analyzed in terms of autoionizing Rydberg states and their vibrational profiles simulated using Rydberg–Klein–Rees (RKR) derived potential energy curves and calculated Franck–Condon factors using Gaussian line-shape functions. All of the structure observed is attributed to spin-orbit autoionization. There seems to be a propensity for autoionization of sσ Rydberg states in all of the interhalogen molecules studied.

THEORETICAL TRANSITION PROBABILITIES FOR THE $\tilde{A}^{2}A_{1} -\tilde{X}^{2}B_{1}$ SYSTEM OF H2O+ AND D2O+ AND RELATED FRANCK–CONDON FACTORS BASED ON GLOBAL POTENTIAL ENERGY SURFACES

2005 ◽  
Vol 04 (01) ◽  
pp. 225-245 ◽  
Author(s):  
IKUO TOKUE ◽  
KATSUYOSHI YAMASAKI ◽  
SATOSHI MINAMINO ◽  
SHINKOH NANBU
Keyword(s):  
Potential Energy ◽  
Photoelectron Spectroscopy ◽  
Potential Energy Surfaces ◽  
Least Squares Method ◽  
Transition Probabilities ◽  
Three Dimensional ◽  
Equilibrium Geometry ◽  
Condon Factors ◽  
Energy Surfaces ◽  
Franck Condon

To elucidate the ionization dynamics, in particular the vibrational distribution, of H 2 O +(Ã) produced by photoionization and the Penning ionization of H 2 O and D 2 O with He *(2 3S) atoms, Franck–Condon factors (FCFs) were given for the [Formula: see text] ionization, and the transition probabilities were presented for the [Formula: see text] emission. The FCFs were obtained by quantum vibrational calculations using the three-dimensional potential energy surfaces (PESs) of [Formula: see text] and [Formula: see text] electronic states. The global PESs were determined by the multi-reference configuration interaction calculations with the Davidson correction and the interpolant moving least squares method combined with the Shepard interpolation. The obtained FCFs exhibit that the [Formula: see text] state primarily populates the vibrational ground state, as its equilibrium geometry is almost equal to that of [Formula: see text], while the bending mode (ν2) is strongly enhanced for the H 2 O +(Ã) state; the maximums in the population of H 2 O + and D 2 O + are approximately v2 = 11–12 and 15–17, respectively. These results are consistent with the distributions observed by photoelectron spectroscopy. Transition probabilities for the [Formula: see text] system of H 2 O + and D 2 O + show that the bending progressions consist primarily of the [Formula: see text] emission, with combination bands from the (1, v′2 = 4–8, 0) level being next most important.

Energiemessung von Photoelektronen und Franck— Condon-Faktoren der Schwingungsübergänge einiger Molekülionen

1967 ◽  
Vol 22 (5) ◽  
pp. 705-710 ◽  
Author(s):  
Reimar Spohr ◽  
Ewald Von Puttkamer
Keyword(s):  
Resonance Line ◽  
Potential Method ◽  
Molecular Ions ◽  
Vibrational Structure ◽  
Vibrational Levels ◽  
Condon Factors ◽  
Experimental Values ◽  
Franck Condon

The energy of photoelectrons ejected by 21.21 eV quanta of the He resonance line is measured with a retarding potential method at a resolution of 40 meV. Vibrational structure of the molecular ions H2+, D2+, O2+, N2+, NO+, CO2+, N2O+ H20, and HC ≡ CH+ is resolved and experimental values of the FRANCK-CONDON factors for the transitions into these vibrational levels are given.

Luminescence of Diatomic Molecular Ions

1971 ◽  
Vol 26 (12) ◽  
pp. 1998-2007
Author(s):  
F. J. Comes ◽  
F. Speier
Keyword(s):  
Cross Sections ◽  
Vibrational Energy ◽  
Ionic Species ◽  
Electronic Energy ◽  
Molecular Ions ◽  
Vibrational Quantum Number ◽  
Radiationless Transition ◽  
Parent Molecule ◽  
Condon Factors ◽  
Franck Condon

The ionic species N2+ B, CO+ A, CO+ B, and O2+ b have been produced by irradiation with the He I resonance line. Franck-Condon-factors both for excitation and deexcitation have been deduced from the fluorescence of the molecular ions. Most of them agree with calculated values of the Franck-Condon-factors. Measurements at different pressures ranging from 0.005 to 5 Torr lead to the deactivation cross sections for collisions with the parent molecule. N2+B also is deactivated in collisions with O2. Cross sections vary between 50 Å2 and 250 Å2 depending upon the ionic species and its vibrational quantum number. The deexcitation is described as a radiationless transition where electronic energy is transfered into vibrational energy

Possible schemes of photoassociation processes in the KLi molecule with newly calculated potential energy curves

Open Physics ◽  
2013 ◽  
Vol 11 (9) ◽  
Author(s):  
Łukasz Miądowicz ◽  
Patryk Jasik ◽  
Józef Sienkiewicz
Keyword(s):  
Potential Energy ◽  
Electronic State ◽  
Dipole Moments ◽  
Potential Energy Curves ◽  
Ground Electronic State ◽  
Transition Dipole ◽  
Transition Dipole Moments ◽  
Condon Factors ◽  
Franck Condon ◽  
Calculated Potential Energy

AbstractWe present four promising schemes for photoassociative formation of KLi molecule in its ground electronic state. Analysis is based on newly calculated adiabatic potentials supported by transition dipole moments and Franck-Condon factors.

The Visible Absorption Spectrum of Diatomic Calcium

1975 ◽  
Vol 53 (5) ◽  
pp. 472-485 ◽  
Author(s):  
Walter J. Balfour ◽  
Rodger F. Whitlock
Keyword(s):  
Absorption Spectrum ◽  
Potential Energy ◽  
Ground State ◽  
Electronic States ◽  
Visible Absorption Spectrum ◽  
Weakly Bound ◽  
Visible Absorption ◽  
Condon Factors ◽  
Calcium Vapor ◽  
Franck Condon

The electronic spectrum of calcium vapor has been photographed in absorption from 460 to 600 nm. A many line spectrum due to Ca2 has been identified from vibrational and rotational analyses and a total of 3800 lines involving 47 bands in the A1Σu+ ← X1Σg+ system of 40Ca2 have been assigned. Analysis shows that the X1Σg+ state is weakly bound with a dissociation energy De″ = 1075 ± 150 cm−1. The A1Σu+ state is considerably more stable. Term values, Dunham coefficients, and RKR potential energy curves have been determined for both electronic states, and Franck–Condon factors, with their dependence on rotation, have been evaluated. The more important constants for the ground state are ωe″ = 64.93 cm−1, ωexe″ = 1.07 cm−1, re″ = 0.4277 nm and those of the upper state are, [Formula: see text], [Formula: see text].Le spectre électronique de la vapeur de calcium a été photographié en absorption, de 460 à 600 nm. Un spectre de plusieurs raies provenant de Ca2 a été identifié à partir des analyses vibrationnelle et rotationnelle; on a déterminé les transitions correspondant à un total de 3800 raies appartenant à 47 bandes du système A1Σu+ ← X1Σg+ de 40Ca2. L'analyse montre que l'état X1Σg+ est faiblement lié, avec une énergie de dissociation

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