原位ATR-IR光谱实时研究DKDP的结晶过程  

In Situ ATR-IR Investigation on the Crystallization of DKDP Crystals

作　　者：刘发付 张丛 郭建斌 张武 曹剑武 张海波[2] 徐明霞[3] LIU Fafu;ZHANG Cong;GUO Jianbin;ZHANG Wu;CAO Jianwu;ZHANG Haibo;XU Mingxia(Inner Mongolia Metal Material Research Institute,Baotou 014000,China;School of Materials Science and Engineering,Huazhong University of Science and Technology,Wuhan 430073,China;State Key Laboratory of Crystal Materials,Shandong University,Jinan 250100,China)

机构地区：[1]内蒙金属材料研究所,包头014000 [2]华中科技大学材料科学与工程学院,武汉430073 [3]山东大学晶体材料国家重点实验室,济南250100

出　　处：《人工晶体学报》2022年第3期404-410,433,共8页Journal of Synthetic Crystals

基　　金：The Elementary Innovation Team Foundation supported by NORINCO Group in China(2021CXTD52);The Taishan Scholars Foundation supported by Shandong Provence in China。

摘　　要：采用全反模式的红外(ATR-IR)光谱实时研究了不同氘含量KH_(2-x)D_(x)PO_(4)(DKDP)晶体的结晶过程,其中DKDP溶液氘含量范围为0到99%。通过υ_(1)()PO_(4))和υ_(3)(PO_(4))振动表征了DKDP结晶溶液中(H_(2)PO_(4)^(-))_(1-x)(D_(2)PO_(4)^(-))_(x)离子基团浓度的变化。υ_(1)(PO_(4))振动强度的变化和υ_(3)(PO_(4))振动宽度的变化说明生长溶液中的(H_(2)PO_(4)^(-))_(1-x)(D_(2)PO_(4)^(-))_(x)离子浓度随着测试时间延长而不断增大。同时,δ(P—O…H/D—O—P)振动峰的形成说明DKDP晶体的生长基元为(H_(2)PO_(4)^(-))_(n-x)(D_(2)PO_(4)^(-))_(x)离子团簇。波数在1448 cm^(-1)到1653 cm^(-1)范围内H—O—H和D—O—D振动强度的变化解释了DKDP晶体在结晶过程中氘含量分布不均的现象。The crystallization of KH_(2-x)D_(x)PO_(4)(DKDP)crystals with different deuterium contents ranged from 0 to 99%were investigated in solution by Attenuated Total Reflectance Infrared(ATR-IR)spectroscopy.The(H_(2)PO_(4)^(-))_(1-x)(D_(2)PO_(4)^(-))_(x) ionic groups were characterized by theυ1(PO_(4))andυ3(PO_(4))vibrations.The intensity changes of theυ1(PO_(4))vibration peaks and the broadened width changes of theυ3(PO_(4))vibration peaks indicate that the(H_(2)PO_(4)^(-))_(1-x)(D_(2)PO_(4)^(-))_(x) concentration increases with the measurement time increases.Besides,the appearance ofδ(P—O…H/D—O—P)vibration illustrates the formation of(H_(2)PO_(4)^(-))_(n-x)(D_(2)PO_(4)^(-))_(x) clusters,which can be confirmed as growth unite.The intensity changes of the H—O—H and D—O—D vibration at the wavenumbers from 1448 cm^(-1) to 1653 cm^(-1)can illustrate the un-uniform distribution of deuterium contents in DKDP crystallization process.

关 键 词：DKDP单晶 结晶过程 ATR-IR光谱 (H_(2)PO_(4)^(-))_(n-x)(D_(2)PO_(4)^(-))_(x)团簇 氘含量 生长基元 

分 类 号：O734[理学—晶体学]