Theoretical study of the spectroscopy of FeH(+)
High-level ab initio calculations are reported for the low-lying states of the FeH(+) molecule. The ground state is determined to be X 5Delta with the low-lying 5Pi state lying about 600/cm higher. The excited states of FeH(+) are repulsive in the Franck-Condon region of the ground state. Thus it is...
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| Veröffentlicht in: | The Astrophysical journal 1991-07, Vol.375 (2), p.843-845 |
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| container_title | The Astrophysical journal |
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| creator | Langhoff, Stephen R. Bauschlicher, Charles W., Jr |
| description | High-level ab initio calculations are reported for the low-lying states of the FeH(+) molecule. The ground state is determined to be X 5Delta with the low-lying 5Pi state lying about 600/cm higher. The excited states of FeH(+) are repulsive in the Franck-Condon region of the ground state. Thus it is likely that FeH(+) is photodissociated in stellar atmospheres. The strongest transition should be the (3) 5Delta - X 5Delta transition near 30,000/cm, which should give rise to a structureless feature in the absorption spectrum due to the repulsive nature of the upper state. All of the perpendicular transitions are computed to be very weak. The D0 value of FeH(+) is computed to be 50.2 kcal/mole, which should be the most accurate theoretical value to date. |
| doi_str_mv | 10.1086/170248 |
| format | Article |
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The ground state is determined to be X 5Delta with the low-lying 5Pi state lying about 600/cm higher. The excited states of FeH(+) are repulsive in the Franck-Condon region of the ground state. Thus it is likely that FeH(+) is photodissociated in stellar atmospheres. The strongest transition should be the (3) 5Delta - X 5Delta transition near 30,000/cm, which should give rise to a structureless feature in the absorption spectrum due to the repulsive nature of the upper state. All of the perpendicular transitions are computed to be very weak. 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Instrumentation, techniques, and astronomical observations</subject><subject>HYDRIDES</subject><subject>HYDROGEN COMPOUNDS</subject><subject>IRON COMPOUNDS</subject><subject>IRON HYDRIDES</subject><subject>MOLECULES</subject><subject>STELLAR ATMOSPHERES</subject><subject>TRANSITION ELEMENT COMPOUNDS</subject><issn>0004-637X</issn><issn>1538-4357</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1991</creationdate><recordtype>article</recordtype><sourceid>CYI</sourceid><recordid>eNpF0F9LwzAQAPAgCs6pn8CHIiiK1OV6-dM8ynBOGPgywbeQpimtzLYk8WHf3swKPh139-O4O0IugT4CLcUCJC1YeURmwLHMGXJ5TGaUUpYLlB-n5CyEz0NaKDUji23rBu9iZ80uC_G73mdDk8XWZWF0Nvoh2GH8ra3c-u7h_pycNGYX3MVfnJP31fN2uc43by-vy6dNblHwmDcMUNa0wsI5sJwDs4KDAGksK5uKSSdMwStVG4NWSVczVRoUWFWgEEyNc3I9zR1C7HSwXXS2tUPfp6U0RygllQndTsimPYN3jR5992X8XgPVh1_o6RcJ3kxwNCEd2njT2y78a1UyyTgkdzW53gSj--hD6imglCspEX8ABgZjgg</recordid><startdate>19910710</startdate><enddate>19910710</enddate><creator>Langhoff, Stephen R.</creator><creator>Bauschlicher, Charles W., Jr</creator><general>University of Chicago Press</general><scope>CYE</scope><scope>CYI</scope><scope>IQODW</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>OTOTI</scope></search><sort><creationdate>19910710</creationdate><title>Theoretical study of the spectroscopy of FeH(+)</title><author>Langhoff, Stephen R. ; Bauschlicher, Charles W., Jr</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c365t-f4137d0b32ee1c5514c651617ac48fb47e6a25b9daa3c97ed498a363bb1931ad3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1991</creationdate><topic>640102 - Astrophysics & Cosmology- Stars & Quasi-Stellar, Radio & X-Ray Sources</topic><topic>Astronomy</topic><topic>Astrophysics</topic><topic>ATMOSPHERES</topic><topic>Atomic processes and interactions</topic><topic>CHEMICAL COMPOSITION</topic><topic>CHEMISTRY</topic><topic>CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS</topic><topic>COSMOCHEMISTRY</topic><topic>DISSOCIATION</topic><topic>Earth, ocean, space</topic><topic>ENERGY LEVELS</topic><topic>Exact sciences and technology</topic><topic>FRANCK-CONDON PRINCIPLE</topic><topic>Fundamental aspects of astrophysics</topic><topic>Fundamental astronomy and astrophysics. Instrumentation, techniques, and astronomical observations</topic><topic>HYDRIDES</topic><topic>HYDROGEN COMPOUNDS</topic><topic>IRON COMPOUNDS</topic><topic>IRON HYDRIDES</topic><topic>MOLECULES</topic><topic>STELLAR ATMOSPHERES</topic><topic>TRANSITION ELEMENT COMPOUNDS</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Langhoff, Stephen R.</creatorcontrib><creatorcontrib>Bauschlicher, Charles W., Jr</creatorcontrib><collection>NASA Scientific and Technical Information</collection><collection>NASA Technical Reports Server</collection><collection>Pascal-Francis</collection><collection>CrossRef</collection><collection>OSTI.GOV</collection><jtitle>The Astrophysical journal</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Langhoff, Stephen R.</au><au>Bauschlicher, Charles W., Jr</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Theoretical study of the spectroscopy of FeH(+)</atitle><jtitle>The Astrophysical journal</jtitle><date>1991-07-10</date><risdate>1991</risdate><volume>375</volume><issue>2</issue><spage>843</spage><epage>845</epage><pages>843-845</pages><issn>0004-637X</issn><eissn>1538-4357</eissn><coden>ASJOAB</coden><abstract>High-level ab initio calculations are reported for the low-lying states of the FeH(+) molecule. The ground state is determined to be X 5Delta with the low-lying 5Pi state lying about 600/cm higher. The excited states of FeH(+) are repulsive in the Franck-Condon region of the ground state. Thus it is likely that FeH(+) is photodissociated in stellar atmospheres. The strongest transition should be the (3) 5Delta - X 5Delta transition near 30,000/cm, which should give rise to a structureless feature in the absorption spectrum due to the repulsive nature of the upper state. All of the perpendicular transitions are computed to be very weak. The D0 value of FeH(+) is computed to be 50.2 kcal/mole, which should be the most accurate theoretical value to date.</abstract><cop>Legacy CDMS</cop><pub>University of Chicago Press</pub><doi>10.1086/170248</doi><tpages>3</tpages></addata></record> |
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| ispartof | The Astrophysical journal, 1991-07, Vol.375 (2), p.843-845 |
| issn | 0004-637X 1538-4357 |
| language | eng |
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| source | NASA Technical Reports Server; Alma/SFX Local Collection |
| subjects | 640102 - Astrophysics & Cosmology- Stars & Quasi-Stellar, Radio & X-Ray Sources Astronomy Astrophysics ATMOSPHERES Atomic processes and interactions CHEMICAL COMPOSITION CHEMISTRY CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS COSMOCHEMISTRY DISSOCIATION Earth, ocean, space ENERGY LEVELS Exact sciences and technology FRANCK-CONDON PRINCIPLE Fundamental aspects of astrophysics Fundamental astronomy and astrophysics. Instrumentation, techniques, and astronomical observations HYDRIDES HYDROGEN COMPOUNDS IRON COMPOUNDS IRON HYDRIDES MOLECULES STELLAR ATMOSPHERES TRANSITION ELEMENT COMPOUNDS |
| title | Theoretical study of the spectroscopy of FeH(+) |
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