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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 40, 1980 - Issue 3
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Original Articles

A theoretical study of the lowest 2B1, 2A1 and 2B2 electronic states in H2S+ and a comparison with corresponding states in related systems

Pablo J. Bruna Lehrstuhl für Theoretische Chemie, Universität Bonn, Wegelerstraße 12, D-5300, Bonn 1, West Germany
,
Gerhard Hirsch Lehrstuhl für Theoretische Chemie, Universität Bonn, Wegelerstraße 12, D-5300, Bonn 1, West Germany
,
Miljenko Perić Lehrstuhl für Theoretische Chemie, Universität Bonn, Wegelerstraße 12, D-5300, Bonn 1, West Germany; Institut za Fizičku Hemiju, Prirodno-Matematičkog Fakulteta, Studentski Trg 12, 11000, Beograd, Jugoslavia
,
Sigrid D. Peyerimhoff Lehrstuhl für Theoretische Chemie, Universität Bonn, Wegelerstraße 12, D-5300, Bonn 1, West Germany
&
Robert J. Buenker Lehrstuhl für Theoretische Chemie, Gesamthochschule Wuppertal, Gaußstraße 20, D-5600, Wuppertal 1, West Germany
Pages 521-537 | Received 27 Nov 1979, Published online: 22 Aug 2006

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Y. Z. Song, Y. Zhang, S. B. Gao, Q. T. Meng, C. K. Wang & M. Y. Ballester. (2018) A global potential energy surface for H2S+ and quasi-classical trajectory study of the S+ + H2 reaction. Molecular Physics 116:1, pages 129-141.
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PabloJ. Bruna & Gerhard Hirsch. (1987) Characterization of the excited electronic states of the SH radical by ab initio methods. Molecular Physics 61:6, pages 1359-1380.
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Miljenko Perić, SigridD. Peyerimhoff & RobertJ. Buenker. (1985) Ab initio treatment of the Renner-Teller effect and application to various AH2 and HAB molecules. International Reviews in Physical Chemistry 4:2, pages 85-124.
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G. Duxbury, Ch. Jungen & J. Rostas. (1983) Effects of orbital angular momentum in H2S+ . Molecular Physics 48:4, pages 719-752.
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Articles from other publishers (32)

Zhiwen Luan, Yanlin Fu, Yuxin Tan, Yaling Wang, Anwen Liu, Tao Wang, Xiaoguo Zhou, Bina Fu, Dong H. Zhang, Daofu Yuan, Xingan Wang & Xueming Yang. (2023) Photodissociation dynamics of H2S+ near 325 nm. Chinese Journal of Chemical Physics 36:3, pages 289-297.
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Jin-Yu Zhang, Ting Xu, Zhi-Wei Ge, Juan Zhao, Shou-Bao Gao & Qing-Tian Meng. (2020) Mechanism analysis of reaction S+(2D)+H2(X1Σg+)→SH+(X3Σ−)+H(2S) based on the quantum state-to-state dynamics*. Chinese Physics B 29:6, pages 063101.
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Lulu Zhang, Shoubao Gao, Qingtian Meng, Jie Pan & Yuzhi Song. (2018) Accurate potential energy surface of H2S+( X 2 A ″) via extrapolation to the complete basis set limit and its use in dynamics study of S+(D2)+H2(X1Σg+) reaction . The Journal of Chemical Physics 149:15.
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Joseph Berkowitz. 2015. Atomic and Molecular Photoabsorption. Atomic and Molecular Photoabsorption 239 390 .
Dipayan Datta & Debashis Mukherjee. (2011) The spin-free analogue of Mukherjee's state-specific multireference coupled cluster theory. The Journal of Chemical Physics 134:5.
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Wen-Zuo Li & Ming-Bao Huang. (2005) The 12A″, 12A′, and 22A′ electronic states of the H2S+ ion studied using multiconfiguration second-order perturbation theory. Chemical Physics 315:1-2, pages 133-141.
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M. Hochlaf, K.-M. Weitzel & C. Y. Ng. (2004) Vacuum ultraviolet pulsed-field ionization-photoelectron study of H2S in the energy range of 10–17 eV. The Journal of Chemical Physics 120:15, pages 6944-6956.
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Ikuo Tokue, Katsuyoshi Yamasaki & Shinkoh Nanbu. (2003) He * (2  3 S) Penning ionization of H2S. I. Theoretical Franck–Condon factors for the H2S(X̃ 1A1,v′=0)→H2S+(X̃ 2B1,Ã 2A1) ionization and H2S+(ÖX̃) transition. The Journal of Chemical Physics 119:12, pages 5874-5881.
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Isaac B. Bersuker. (2001) Modern Aspects of the Jahn−Teller Effect Theory and Applications To Molecular Problems. Chemical Reviews 101:4, pages 1067-1114.
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Kouichi Takeshita & Norihiro Shida. (1996) A theoretical study on the ionization of H2S with analysis of vibrational structure of the photoelectron spectra. Chemical Physics 210:3, pages 461-475.
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P. Baltzer, L. Karlsson, M. Lundqvist, B. Wannberg, D.M.P. Holland & M.A. MacDonald. (1995) An experimental study of the valence shell photoelectron spectrum of hydrogen sulphide. Chemical Physics 195:1-3, pages 403-422.
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Souad Lahmar, Zohra Ben Lakhdar, Gilberte Chambaud & Pavel Rosmus. (1995) Theoretical spectroscopic data for the X2B1 and A2A1 states of H2S+. Journal of Molecular Structure: THEOCHEM 333:1-2, pages 29-37.
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M. Perić, B. Engels & S. D. Peyerimhoff. 1995. Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy. Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy 261 356 .
Werner Behrendt, Ulrich W. Gerwarth, Reinhard Haubold, Jörn v. Jouanne, Hannelore Keller-Rudek, Dieter Koschel, Hans Schäfer & Joachim WagnerWerner Behrendt, Ulrich W. Gerwarth, Reinhard Haubold, Jörn v. Jouanne, Hannelore Keller-Rudek, Dieter Koschel, Hans Schäfer & Joachim Wagner. 1993. P Phosphorus. P Phosphorus 1 324 .
Gregory F. Stowe, Richard H. Schultz, Charles A. Wight & P.B. Armentrout. (1990) Translational and electronic energy dependence of S+ + H2(D2, HD) → SH+ (SD+) + H(D): spin-allowed and spin-forbidden pathways. International Journal of Mass Spectrometry and Ion Processes 100, pages 177-195.
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A. Cesar, H. Ågren, A. Naves de Brito, S. Svensson, L. Karlsson, M. P. Keane, B. Wannberg, P. Baltzer, P. G. Fournier & J. Fournier. (1990) Vibronic and electronic states of doubly charged H2S studied by Auger and charge transfer spectroscopy and by a b   i n i t i o calculations . The Journal of Chemical Physics 93:2, pages 918-931.
Crossref
Jian-Ping Gu, Ming-Bao Huang, Fanao Kong & Song-Hao Liu. (1989) Ab initio studies of five doublet states and the dissociation of the X2B1 and A2A1 states of the PH2 radical. Journal of Molecular Structure: THEOCHEM 201, pages 39-47.
Crossref
S. Leach. 1988. Exploration of Halley’s Comet. Exploration of Halley’s Comet 195 200 .
J.V. Ortiz. (1987) Calculations on the vertical and adiabatic ionization energies of (H2S)2. Chemical Physics Letters 134:4, pages 366-370.
Crossref
Toshio Ibuki. (1984) The EUV photoexcitation of a H2S molecule. The Journal of Chemical Physics 81:7, pages 2915-2918.
Crossref
F Spiegelmann & J P Malrieu. (1984) The use of effective Hamiltonians for the treatment of avoided crossings. I. Adiabatic potential curves. Journal of Physics B: Atomic and Molecular Physics 17:7, pages 1235-1257.
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E. A. Walters & Normand C. Blais. (1984) Molecular beam photoionization and fragmentation of D2S, (H2S)2, (D2S)2, and H2S⋅H2O. The Journal of Chemical Physics 80:7, pages 3501-3502.
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J.H.D. ELAND. 1984. Photoelectron Spectroscopy. Photoelectron Spectroscopy 188 225 .
H.F. Prest, W.-B. Tzeng, J.M. BromJr.Jr. & C.Y. Ng. (1983) Molecular beam photoionization study of H2S. International Journal of Mass Spectrometry and Ion Physics 50:3, pages 315-329.
Crossref
J. Müller, L.J. Saethre & O. Gropen. (1983) Molecular structure and photoelectron spectra of H2S, H2Se, and H2Te. Effective core potential calculations on ground and valence ionic states. Chemical Physics 75:3, pages 395-404.
Crossref
Stefano Evangelisti, Jean-Pierre Daudey & Jean-Paul Malrieu. (1983) Convergence of an improved CIPSI algorithm. Chemical Physics 75:1, pages 91-102.
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Pablo J. Bruna, Gerhard Hirsch, Robert J. Buenker & Sigrid D. Peyerimhoff. 1983. Molecular Ions. Molecular Ions 309 354 .
C.P. Edwards, C.S. Maclean & P.J. Sarre. (1982) Observation of transitions to predissociated levels of H2S+(Ã2A1) in a laser-ion beam experiment. Chemical Physics Letters 87:1, pages 11-13.
Crossref
Martin F. Jarrold, Andreas J. Illies & Michael T. Bowers. (1982) Mechanism of the metastable reaction H2S+ → S+ + H2; product energy distributions and their dependence on temparature. Chemical Physics 65:1, pages 19-28.
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Gerhard Bieri, Leif Åsbrink & Wolfgang von Niessen. (1982) 30.4-nm He (II) photoelectron spectra of organic molecules. Journal of Electron Spectroscopy and Related Phenomena 27:2, pages 129-178.
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David M. Hirst. 1982. Advances in Chemical Physics. Advances in Chemical Physics 517 587 .
Joachim Römelt, Sigrid D. Peyerimhoff & Robert J. Buenker. (1981) Ab initio MRD-CI study of the rydberg states of methylene. Chemical Physics 54:2, pages 147-158.
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