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. 2021 May 21;26(11):3086. doi: 10.3390/molecules26113086

Table 3.

Spin–spin coupling constants 2hJ(O–O), 1hJ(H–O), and 1J(O–H) (Hz) for the O–HO hydrogen bond in complexes C3H4O2:Acid.

Complex 2hJ(O–O) 1hJ(H–O) 1J(O–H)
Isolated monomer C3H4O2 11.5 7.9 −77.7
Isolated ts 24.7 −19.7 −19.7
C3H4O2:LiH at C=O 10.2 7.9 −79.2
      at O–H 13.7 7.4 −81.3
    ts 24.0 −14.5 −31.2
C3H4O2:LiF at C=O 10.5 8.1 −78.6
      at O–H 13.5 7.4 −82.2
    ts 24.1 −15.5 −30.0
C3H4O2:BeH2 at C=O 10.0 7.8 −81.4
      at O–H 14.3 6.4 −89.7
    ts 23.8 −12.8 −41.4
C3H4O2:BeF2 at C=O 9.6 7.7 −82.1
      at O–H 15.4 5.8 −88.7
    ts 23.6 −10.3 −47.1