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• W2890776525 endingPage "8053" @default.
• W2890776525 startingPage "8047" @default.
• W2890776525 abstract "Density functional and ab initio calculations, along with photodissociation spectroscopy and ion imaging of MnO+ from 21,300 to 33,900 cm–1, are used to probe the photodissociation dynamics and bond strength of the manganese oxide cation (MnO+). These studies confirm the theoretical ground state (5Π) and determine the spin–orbit constant (A′ = 14 cm–1) of the dominant optically accessible excited state (5Π) in the region. Photodissociation via this excited 5Π state results in ground state Mn+ (7S) + O (3P) products. At energies above 30,000 cm–1, the Mn+ (5S) + O (3P) channel is energetically accessible and becomes the preferred dissociation pathway. The bond dissociation energy (D0 = 242 ± 5 kJ/mol) of MnO+ is measured from several images of each photofragmentation channel and compared to theory, resolving a disagreement in previous measurements. MRCI+Q calculations are much more successful in predicting the observed spectrum than TD-DFT or EOM-CCSD calculations." @default.
• W2890776525 created "2018-09-27" @default.
• W2890776525 creator A5018172230 @default.
• W2890776525 creator A5031429113 @default.
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• W2890776525 date "2018-09-18" @default.
• W2890776525 modified "2023-10-18" @default.
• W2890776525 title "Photofragment Imaging, Spectroscopy, and Theory of MnO⁺" @default.
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• W2890776525 doi "https://doi.org/10.1021/acs.jpca.8b07849" @default.
• W2890776525 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/30226771" @default.
• W2890776525 hasPublicationYear "2018" @default.
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