Table 2: Energy difference ( ), dihedral angles ( and ), and distance between N and O atoms ( ). Partial charges ( and ) of N and O atoms, and dipole moment ( ) of each conformer of [DEME]+ ion using the B3LYP/6-311++G(d,p) basis set.

Conformer
(kJ/mol)(degree)(degree)(A°)(Debye)

confonner
ttt 0 179.98 179.98 3.72 0.19 −0.41 4.12
t g +t −13.08 172.26 64.26 3.06 0.11 −0.25 2.67
tg t −13.08 172.21 −64.34 3.06 0.11 −0.25 2.67
TG conformer
ttt 0 179.34 172.24 3.72 0.19 −0.38 3.77
g +t t 66.24 168.53 3.72 0.19 −0.39 3.68
t g +t −13.58 170.08 61.63 3.05 0.15 −0.27 2.67
tg t −12.91 167.31 −62.76 3.07 0.13 −0.33 2.45
g +g +t −13.73 39.48 59.24 3.03 0.11 −0.27 2.13
g +g t −13.02 77.65 −57.92 3.01 0.10 −0.30 2.08