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Engl."],"published-print":{"date-parts":[[1996,5,3]]},"abstract":"<jats:p><jats:bold>Ion\u2013molecule reactions between U<jats:sup>2+<\/jats:sup> and oxygen donors<\/jats:bold> or \u201ccharge\u2010stripping\u201d collisions between singly charged UO<jats:inline-graphic xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" xlink:href=\"graphic\/tex2gif-stack-2.gif\" xlink:title=\"urn:x-wiley:05700833:media:ANIE199608911:tex2gif-stack-2\" \/> ions and O<jats:sub>2<\/jats:sub> collision partners generate uranyl(2 +) ions in the gas phase. These do not readily dissociate into singly charged fragments. The standard enthalpy of formation for UO<jats:inline-graphic xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" xlink:href=\"graphic\/tex2gif-stack-3.gif\" xlink:title=\"urn:x-wiley:05700833:media:ANIE199608911:tex2gif-stack-3\" \/> is estimated to be 371 \u00b1 60 kcalmol<jats:sup>\u22121<\/jats:sup>, in accord with the results of ab initio calculations.<\/jats:p>","DOI":"10.1002\/anie.199608911","type":"journal-article","created":{"date-parts":[[2004,1,16]],"date-time":"2004-01-16T15:27:14Z","timestamp":1074266834000},"page":"891-894","source":"Crossref","is-referenced-by-count":96,"title":["The \u201cBare\u201d Uranyl(2+) Ion, UO"],"prefix":"10.1002","volume":"35","author":[{"given":"Hans H.","family":"Cornehl","sequence":"first","affiliation":[]},{"given":"Christoph","family":"Heinemann","sequence":"additional","affiliation":[]},{"given":"Joaquim","family":"Mar\u00e7alo","sequence":"additional","affiliation":[]},{"given":"Ant\u00f3nio Pires","family":"de Matos","sequence":"additional","affiliation":[]},{"given":"Helmut","family":"Schwarz","sequence":"additional","affiliation":[]}],"member":"311","published-online":{"date-parts":[[2003,12,22]]},"reference":[{"key":"e_1_2_1_1_2","volume-title":"Gmelin Handbook of Inorganic Chemistry, U Suppl","year":"1992"},{"key":"e_1_2_1_2_2","first-page":"129","volume":"81","author":"van Wezenbeek E. 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A.Kafafi NIST Standard Reference Database Positive Ion Energetics Version 2.01 January 1994;"},{"key":"e_1_2_1_4_3","volume-title":"The Chemical Thermodynamics of Actinide Elements and Compounds, Part 13\u2014The Gaseous Actinide Ions","author":"Hildenbrand D. L.","year":"1985"},{"key":"e_1_2_1_4_4","volume-title":"International Tables of Selected Constants 20","author":"Blaise J.","year":"1992"},{"key":"e_1_2_1_5_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.464045"},{"key":"e_1_2_1_5_3","doi-asserted-by":"publisher","DOI":"10.1016\/0022-1902(75)80362-9"},{"key":"e_1_2_1_6_2","doi-asserted-by":"publisher","DOI":"10.1021\/om00002a053"},{"key":"e_1_2_1_6_3","doi-asserted-by":"publisher","DOI":"10.1016\/0022-328X(95)05644-5"},{"key":"e_1_2_1_6_4","doi-asserted-by":"publisher","DOI":"10.1021\/om9504359"},{"key":"e_1_2_1_7_2","doi-asserted-by":"publisher","DOI":"10.1016\/0020-7381(73)80104-4"},{"key":"e_1_2_1_8_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.1712253"},{"key":"e_1_2_1_8_3","doi-asserted-by":"publisher","DOI":"10.1063\/1.433678"},{"key":"e_1_2_1_9_2","doi-asserted-by":"publisher","DOI":"10.1002\/ange.19891011004"},{"key":"e_1_2_1_9_3","doi-asserted-by":"publisher","DOI":"10.1002\/anie.198913211"},{"key":"e_1_2_1_9_4","doi-asserted-by":"publisher","DOI":"10.1002\/mas.1280100403"},{"key":"e_1_2_1_9_5","doi-asserted-by":"publisher","DOI":"10.1016\/0370-1573(93)90006-Y"},{"key":"e_1_2_1_10_2","unstructured":"Compositions of the Hartree\u2010Fock molecular orbitals in (a) UO(1\u03a3): 3\u03c3u: 42% (2p(O) 16% 6p(U) 42% 5f(U); 2\u03c0u: 83% 2p(O) 7% 6p(U) 10% 5f(U); 3\u03c0g: 70% 2p(O) 6% 2s(O) 12% 7s(U) 12% 6d(U): 1\u03c0g: 91% 2p(O) 9% 6d(U); b) UO(2\u03b8u): 3\u03c3u: 50% 2p(O) 20% 6p(U) 30% 5f(U); 2\u03c0u: 90% 2p(O) 5% 6p(U) 5% 5f(U); 3\u03c3g: 76% 2p(O) 4% 2s(O); 10% 7s(U) 10% 6d(U); 1\u03c0g: 92% 2p(O) 8% 6d(U)."},{"key":"e_1_2_1_11_2","unstructured":"The adiabatic ionization energies UO\u2192 UOare only slightly lower than the vertical values (15.00 and 14.66 eV for2\u03a6uand2\u0394u respectively)."},{"key":"e_1_2_1_12_2","unstructured":"FAB of uranyl salts has been extensively investigated:T. J.Kemp K. R.Jennings P. A.Reed J. Chem. Soc. Dalton Trans.1995 885."},{"key":"e_1_2_1_13_2","unstructured":"Preliminary measurements of the kinetic energy loss of the incident UObeam (Qminvalue) point to the preferential population of an electronically excited (MO\u2010occupation 3\u03c31\u03b4or 3\u03c3u11\u03d5 see Refs. [1 2]) rather than the ground state of UOin the charge\u2010stripping collisions."},{"key":"e_1_2_1_14_2","doi-asserted-by":"publisher","DOI":"10.1016\/0168-1176(91)80071-T"},{"key":"e_1_2_1_14_3","doi-asserted-by":"publisher","DOI":"10.1021\/ja00016a008"},{"key":"e_1_2_1_15_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.466847"},{"key":"e_1_2_1_16_2","doi-asserted-by":"publisher","DOI":"10.1007\/BF01112569"},{"key":"e_1_2_1_17_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.465990"},{"key":"e_1_2_1_18_2","unstructured":"MOLPRO is a package of ab initio programs written byH.\u2010J.Werner P. J.Knowles with contributions fromJ.Alml\u00f6f R. D.Amos M. J. 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