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. 2024 Feb 26;128(9):1593–1599. doi: 10.1021/acs.jpca.3c07958

Table 1. Summary of All the Observed Ions from (H2O)+2 Dissociation Together With Their Relative Ion Yieldsa.

fragment signal (counts) relative ion yield EA (eV) reaction channel:
        (H2O)+2 →
H3O+ 1,933,751 0.541(42) 11.715 H3O+ + OH15,16,19
H2O+ 630,492 0.176(11) 12.815 H2O+ + H2O15,16,19
      18.215 H2O+ + OH + H15
(H2O)+2 613,728 0.172(8) 11.715 H3O+···OH15,16,19
H+ 213,905b 0.06(4) 19.215 H+ + H2O + OH15
OH+ 114,390 0.032(8) 18.515 OH+ + H2O + H15
O+ 24,235 0.0068(20) 21.7 O+ + H2O + 2H
H+2 13,947 0.0068(14) 21.7 H+2 + H2O + O
H218O+ 10,225 0.0029(1)    
H318O+ 9268 0.0026(3)    
O+2 6052 0.0017(3) 27.6 O+2 + 4H
HO+2 4206 0.0012(2) 29.2 HO+2 + 3H
(H2O–O)+ 1792 0.0005(1) 32.616/33.0 (H2O–O)+ + 2H16
H+3 796 0.0002(3) 36.5 H+3 + HO2
a

Our estimated appearance energies EA are shown in the fourth column in bold, alongside the previously reported appearance energies.15,16 The last column shows previously reported and suggested fragmentation pathways producing the observed ions.

b

Signal contributions by fast nondetected H+ ions are expected to be below 5% of the integrated H+ signal.