用中子衍射测定DTGS晶体中氘原子的位置

用中子四圆衍射仪测量了部分氚化的硫酸三甘氨酸的晶体结构。所得结果与TGS做了比较:三个甘氨酸基团之间的距离有所增加,晶胞轴长α,b,c的相对增加量分别为4.7‰,5.0‰,1.9‰;氚占有氢位置的几率,明显地分成两类:与碳相联系的氢位置的占有几率为O;其它氢位置的占有几率为0.84±0.03。 关键词：

ATOMIC POSITIONS OF DEUTERIUM IN DTGS CRYSTAL DETERMINED BY NEUTRON DIFFRACTION

The crystal structure of the partly deuterized triglycine sulfate was studied by four-circle neutron diffractometer. The result is compared with TG-S data obtained by Kay et al. The distance between triglyeines groups increases hlightly by deuterization, The relative increases of lattice parameters a, b and c are 0.47%, 0.50%, 0.19%, respectively. The probability of deuterium substitution, P, on various hydrogen sites is obviously divided into two classes; P=0 for hydrogens locked in C-H bonds, while P= 0.84±0.03 for all the others.