Compounds

HOF

[kcal/mol]

Distance [Å]

of N-CH2

Distance [Å]

of N∙∙∙Br

Bond Angle [˚] of

N-CH2-CH2

Dihedral angle [˚] of

N-CH2-CH2-CH2-CH2

E4

?72.9500

1.491

?

109.692

109.655

109.808

?176.477

?175.288

?174.425

F14

?199.0620

1.536

3.980

114.606

113.845

114.640

113.691

?174.870

?174.879

173.874

178.628

G14

?111.6305

1.536

3.986

114.283

114.033

114.733

114.034

?168.997

?158.903

176.179

176.925