利用变温红外光谱及偏振实验的结果,依据晶体化学理论及键长与振动频率的关系,从热膨胀速率这一新的角度探讨了单斜辉石中缺陷OH的结合机理。单斜辉石中OH的红外吸收峰主要有3组:3600~3620cm^-1、3500-3540cm^-1和3445-3465cm^-1。第1组峰对应的的OH结合方式是Si^4++O2-+1/2H2←→Al^3++OH-,第3组峰对应的OH结合方式是H填充M2空位。第2组峰对应的OH结合方式复杂,可能和多个位置有关。第2和第3两组OH偶极的振动方向一致,都是M1和M2的共棱O2—O1,而第1组OH偶极的振动方向则是M2的O2—O3棱。
Based on FTIR experiments of diopsides and omphacites at varying temperatures, this paper discussed the incorporation mechanisms of OH defects in clinopyroxene minerals from a new point of view, i.e. , thermal expansion. There are three groups of OH absorption bands in clinopyroxene minerals, namely, 3 600 3 620cm^-1,3 500- 3 540 cm^-1, and 3 445-3 465cm^-1. The OH incorporation mode of Group 1 bands is Si4 + + 02- + 1/2H2←→Al^3 + + OH^-, while the M2 vacancy is responsible for the OH incorporation mode of Group 3 bands. The OH incorporation mode of Group 2 bands is complex and might be related to several different positions. The OH dipole vibration direction of Group 2 bands is the same as that of Group 3 bands, along the shared edge of M1 and M2 polyhedra, O2-O1. And the OH dipole of Group 1 bands vibrates between O2 and O3 along the edge of M2 polyhedron.