Skip to main content
. 2022 Apr 8;7(15):13189–13195. doi: 10.1021/acsomega.2c00636

Table 2. Charge Transfer (me–) Associated with the Py Atoms after the Formation of the Dative Bond in PyBH3.

atoma Δq (me–)
C 1 –50
C 2 0
C 3 –30
C 4 0
C 5 –50
N 6 –50
H 7 –10
H 8 –40
H 9 –10
H 10 –10
H 11 –40
B 12 530
H 13 –80
H 14 –60
H 15 –60
a

See Figure 1 for atom numbers.