Erratum: The photodissociation spectrum of SO2+ [J. Chem. Phys. <b>8</b>
                  <b>4</b>, 1215 (1986)]

Thomas, Timothy F.; Dale, F.; Paulson, John F.

doi:10.1063/1.465113

Cited by 13 publications

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“…In the present section, we discuss the S-and O-loss dissociation mechanisms of the C, D, and E states proposed in the previous experimental studies. 3,5,7,10,11 10 Actually the C 2 B 1 state could adiabatically dissociate to the first O-loss limit via process 10 (the needed energy of 4.16 eV being within the two experimental energy ranges).…”

Section: Discussion On the Dissociation Mechanisms In The Previous Exmentioning

confidence: 99%

“…The main purpose of the present theoretical work is to study S-and O-loss dissociation processes from the C 2 B 1 , D 2 A 1 , and E 2 B 2 states of the SO 2 1 ion, because most of the experimental dissociation studies 3,5,7,10,11 on the SO 2 1 ion were concerning these three states. In 1979, Weiss et al 5 measured the threshold photoelectron (TPE) and TPE-coincident photoion (CPI) mass spectra of SO 2 over an energy range of 15.844-16.674 eV and discussed mechanisms of O-loss dissociation from a 2 B 2 state of the SO 2 1 ion.…”

Section: Introductionmentioning

confidence: 99%

“…1 Numerous experimental studies [2][3][4][5][6][7][8][9][10][11] have been devoted to the SO 2 1 ion and three bands were observed in the photoelectron spectra of the SO 2 1 ion. The X state of SO 2 1 is in the first band, the A and B states are in the second band, and the C, D, and E states are in the third band.…”

Section: Introductionmentioning

confidence: 99%

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A CAS study on S‐loss and O‐loss dissociation mechanisms of the SO₂⁺ ion in the C, D, and E states

Meng

Huang

2010

J Comput Chem

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In the present work, we mainly study dissociation of the C (2) B(1) , D(2) A(1) , and E(2) B(2) states of the SO(2) (+) ion using the complete active-space self-consistent field (CASSCF) and multiconfiguration second-order perturbation theory (CASPT2) methods. We first performed CASPT2 potential energy curve (PEC) calculations for S- and O-loss dissociation from the X, A, B, C, D, and E primarily ionization states and many quartet states. For studying S-loss predissociation of the C, D, and E states by the quartet states to the first, second, and third S-loss dissociation limits, the CASSCF minimum energy crossing point (MECP) calculations for the doublet/quartet state pairs were performed, and then the CASPT2 energies and CASSCF spin-orbit couplings were calculated at the MECPs. Our calculations predict eight S-loss predissociation processes (via MECPs and transition states) for the C, D, and E states and the energetics for these processes are reported. This study indicates that the C and D states can adiabatically dissociate to the first O-loss dissociation limit. Our calculations (PEC and MECP) predict a predissociation process for the E state to the first O-loss limit. Our calculations also predict that the E(2) B(2) state could dissociate to the first S- and O-loss limits via the A(2) B(2) ← E(2) B(2) transition. On the basis of the 13 predicted processes, we discussed the S- and O-loss dissociation mechanisms of the C, D, and E states proposed in the previous experimental studies.

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Section: Discussion On the Dissociation Mechanisms In The Previous Exmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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A CAS study on S‐loss and O‐loss dissociation mechanisms of the SO₂⁺ ion in the C, D, and E states

Meng

Huang

2010

J Comput Chem

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“…Various studies have been devoted to the SO 2 ϩ ion, including absorption spectroscopy, 1-6 electron impact, [7][8][9][10][11][12][13] Penning ionization, 14 photoelectron spectroscopy, [15][16][17][18][19][20][21][22] photoelectron-photoion coincidence spectroscopy, 23,24 photoion-fluorescence coincidence spectroscopy, 25 photodissociation spectroscopy, [26][27][28] and photoionization mass spectrometry. 6,[29][30][31][32][33][34] However, the dissociation mechanism, for example, has been studied only for the C 2 B 2 , D 2 A 1 , and Ẽ 2 B 1 states ͑the third band in the photoelectron spectrum͒ 22 and the satellite bands ͓configuration interaction ͑CI͒ states or multielectron transition states͔ of SO 2 ϩ .…”

Section: Introductionmentioning

confidence: 99%

Dissociative photoionization of SO2 from 16 to 120 eV

Masuoka

Chung

Lee

et al. 1998

The Journal of Chemical Physics

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Articles you may be interested inPhotodissociation of (SO2XH) Van der Waals complexes and clusters (XH = C2H2, C2H4, C2H6) excited at 32 040-32090 cm−1 with formation of HSO2 and X J. Chem. Phys. 140, 054304 (2014); 10.1063/1.4863445Photoabsorption and S 2p photoionization of the SF6 molecule: Resonances in the excitation energy range of 200-280 eV Using synchrotron radiation as a continuum light source, dissociative photoionization of SO 2 has been studied in the photon-energy region of 16-120 eV. Ion branching ratios were obtained by analyzing time-of-flight mass spectra and were converted to the absolute partial cross sections for the production of SO 2 ϩ , SO ϩ , S ϩ ͑O 2 ϩ ͒, O ϩ , and SO 2ϩ by using the reported total absorption cross sections of SO 2 . Ion branching ratios were differentiated with respect to the incident photon energy. The results obtained by this analytical photoion spectroscopy show dissociation pathways of the SO 2 ϩ and SO 2 2ϩ ions, some of which are first observed in the present study. These pathways are discussed by comparing them with the reported electronic states of the ions.

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“…The SO + ion plays a role in plasmas containing sulfur and oxygen, in the gas phase chemistry of interstellar clouds [1][2][3][4], in planetary atmospheres such as the Io plasma torus of Jupiter [5,6], and possibly also in the ion chemistry of the earth's atmosphere [7,8]. Furthermore, it is of interest due to its isovalent character with O~ + .…”

Section: Introductionmentioning

confidence: 99%

Photofragment spectroscopy of SO+ in the wavelength range from 308?514.5 nm

Bissantz

Andrić

Hertzler

et al. 1992

Z Phys D - Atoms, Molecules and Clusters

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Abstract. The direct photodissociation process SO + + h v ~S + + O has been studied using the technique of ion photofragment spectroscopy. The kinetic energy distribution of the S photofragments has been measured for selected wavelengths in the range )~ = 308-514.5 nm. Transitions from the metastable a4H state to the dissociative 1 427 + state as well as from the X2H ground state to a higher-lying 2H state have been observed. From the vibrationally resolved kinetic energy spectra, the potential curve of the repulsive 1 4X + state has been determined for the range of internuclear distances R = 3.0-4.5 a 0. In addition, the analysis gives the vibrational population of the SO + (a4H) ions after dissociative electron-impact ionization of SOs in the low-pressure monoplasmatron ion source.

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Erratum: The photodissociation spectrum of SO2+ [J. Chem. Phys. 8 4, 1215 (1986)]

Cited by 13 publications

References 0 publications

A CAS study on S‐loss and O‐loss dissociation mechanisms of the SO₂⁺ ion in the C, D, and E states

A CAS study on S‐loss and O‐loss dissociation mechanisms of the SO₂⁺ ion in the C, D, and E states

Dissociative photoionization of SO2 from 16 to 120 eV

Photofragment spectroscopy of SO+ in the wavelength range from 308?514.5 nm

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Erratum: The photodissociation spectrum of SO2+ [J. Chem. Phys. 8 4, 1215 (1986)]

Cited by 13 publications

References 0 publications

A CAS study on S‐loss and O‐loss dissociation mechanisms of the SO2+ ion in the C, D, and E states

A CAS study on S‐loss and O‐loss dissociation mechanisms of the SO2+ ion in the C, D, and E states

Dissociative photoionization of SO2 from 16 to 120 eV

Photofragment spectroscopy of SO+ in the wavelength range from 308?514.5 nm

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Product

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A CAS study on S‐loss and O‐loss dissociation mechanisms of the SO₂⁺ ion in the C, D, and E states

A CAS study on S‐loss and O‐loss dissociation mechanisms of the SO₂⁺ ion in the C, D, and E states