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| Content Provider | World Health Organization (WHO)-Global Index Medicus |
|---|---|
| Author | Noorisafa, Zeinab Keshavarz, Elham Sabzyan, Hassan |
| Description | Author Affiliation: Noorisafa Z ( Department of Chemistry, University of Isfahan, Isfahan, 81746 73441, Islamic Republic of Iran.); Sabzyan H ( Department of Chemistry, University of Isfahan, Isfahan, 81746 73441, Islamic Republic of Iran. Electronic address: sabzyan@sci.ui.ac.ir.); Keshavarz E ( Department of Chemistry, University of Isfahan, Isfahan, 81746 73441, Islamic Republic of Iran.) |
| Abstract | Electronic stabilities, structures, properties, and spectroscopic constants of the halogen oxide dianions OBr2- and OCl2- and their singly charged anions which are of astrophysical and laboratory interests have been studied. The X2Σ states of OBr2- and OCl2- are metastable with PECs having smooth wells with minima located at R=1.859 Å and 1.776 Å, and Coulomb barriers of 40402.54987 cm(-1) and 43746.63462 cm(-1) heights located at RRCB=2.100 Å and 1.922 Å, respectively, both without any vibrational states. While, the B2Σ state of OBr2- and the A2Σ state of OCl2- are metastable with PECs having wells deep enough to suite several bound states, with minima located at Re=1.773 Å and 1.6430 Å, and Coulomb barriers of 191437.45813 cm(-1) and 180550.70294 cm(-1) heights located at RRCB=2.658 Å and 2.4480 Å, with De=1.26470 eV and 1.60837 eV, respectively. The OBr- and OCl- singly charged anions are stable in their ground states. Based on the calculated Frank-Condon factors, it is concluded that metastable excited state OBr2- and OCl2- dianions and ground state OBr- and OCl- singly charged anions can be formed via electron capture processes. |
| ISSN | 13861425 |
| Journal | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy |
| Volume Number | 132 |
| e-ISSN | 18733557 |
| Language | English |
| Publisher | Elsevier |
| Publisher Date | 2014-11-11 |
| Publisher Place | Great Britain (UK) |
| Access Restriction | One Nation One Subscription (ONOS) |
| Subject Keyword | Anions Chemistry Bromine Chlorine Electrons Thermodynamics Vibration Journal Article Discipline Spectroscopy |
| Content Type | Text |
| Resource Type | Article |
| Subject | Spectroscopy Atomic and Molecular Physics, and Optics Analytical Chemistry Instrumentation |
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