Table 2 Hydrogen bonds in [Gly]ClO4 crystal.

From: Insensitive ionic bio-energetic materials derived from amino acids

D

H

A

d(D-H)/Å

d(H-A)/Å

d(D-A)/Å

<(DHA)/°

ρ BCP/e Å−3

∇2 ρBCP/e Å−5

E(2)/kJ mol−1

Strength

O4

H4

O8

0.82

1.92

2.742 (2)

177.0

0.0247

0.1074

30.19

Medium

N1

H1A

O71

0.89

2.16

2.922(2)

143.6

0.0164

0.0642

10.71

Weak

N1

H1B

O52

0.89

2.04

2.926 (2)

175.5

0.0176

0.0807

12.04

Weak

N1

H1C

O103

0.89

2.11

2.870(2)

143.2

0.0180

0.0732

13.72

Weak

  1. 11 + X, + Y, −1 + Z; 21−X, 1−Y, 1−Z; 31 + X, + Y, −1 + Z.
Back to article page