A thermochemical study of relations between proton affinities and core electron binding energies
作者： David Nordfors , Nils Mårtensson , Hans Ågren
DOI: 10.1016/0368-2048(90)80327-7
关键词: Core electron 、 Ionization energy 、 Computational chemistry 、 Chemistry 、 Electron affinity 、 Electronic correlation 、 Proton affinity 、 Ionization 、 Physical chemistry 、 Binding energy 、 Proton
摘要: Abstract The correlation between the core ionization energy and proton affinity of same compound (Martin—Shirley correlation) is investigated from thermochemical point view. model based on equivalent approximation, so that a ionized related to an isoelectronic protonated compound. Martin—Shirley may be attributed two observed trends: (1) chemical shifts compounds (e.g. C1s N1s methane ammonia) correlate; (2) difference in formation enthalpies fairly constant. energies isoelectric manifested already for atomic potentials, where slope approximated by (Z/Z + 1)2, e.g. ( 6 7 )2 case carbon vs. nitrogen.
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