CAJ | 학술논문

DAST晶体（即4-N, N-二甲胺基-4’-N’-甲基-氮杂芪的对甲苯磺酸盐晶体）具有优良的二阶非线性光学性能和电光效应特性，可用于红外至太赫兹波段辐射与检测领域。为了表征DAST源粉分子结构及纯度，选择CD3OD和DMSO-d6两种溶剂分别对DAST源粉进行了1H NMR、13C NMR、1H-1H COSY、HSQC和HMBC表征。通过对谱峰的归属及分析发现，DAST在CD3OD溶液中倾向于以离子对状态存在，而在DMSO-d6溶液中倾向于以解离状态存在，并根据谱峰的变化推测了DAST在从CD3OD溶液环境向DMSO-d6溶液环境变化时解离过程中电子云在共轭结构上重新分布的规律和骨架的变化情况。
DAST정체（즉4-N, N-이갑알기-4’-N’-갑기-담잡기적대갑분광산염정체）구유우량적이계비선성광학성능화전광효응특성，가용우홍외지태혁자파단복사여검측영역。위료표정DAST원분분자결구급순도，선택CD3OD화DMSO-d6량충용제분별대DAST원분진행료1H NMR、13C NMR、1H-1H COSY、HSQC화HMBC표정。통과대보봉적귀속급분석발현，DAST재CD3OD용액중경향우이리자대상태존재，이재DMSO-d6용액중경향우이해리상태존재，병근거보봉적변화추측료DAST재종CD3OD용액배경향DMSO-d6용액배경변화시해리과정중전자운재공액결구상중신분포적규률화골가적변화정황。
DAST crystal (4-N,N-dimethylamino-4’-N’-methyl-stilbazolium tosylate crystal) shows electro-optical effect, and has excellent properties for second-order nonlinear optics. It can be used for wave radiation and detection from infrared to terahertz range. In this study, the molecular structure and purity of DAST crystal were analyzed by liquid-state NMR spectroscopy (i.e.,1H NMR,13C NMR,1H-1H COSY, HSQC and HMBC) using CD3OD and DMSO-d6 as solvents. It was observed that DAST tended to exist in the form of ion pair in CD3OD solution, while in the form of dissociative state in DMSO-d6solution. This could be due to solvent-dependent redistribution of electron cloud in the conjugated structure and movement of the framework.