CAJ | 학술논문

用激光直接溅射的方法产生了铁-硒二元团簇，并用串级飞行时间质谱仪研究了二元团簇的组份和光解规律。一级谱中组成FenSen+、FenSen-1+和FenSen-、FenSen+1-是二元团簇的结构骨架和稳定组份。团簇正离子FenSen+的紫外光解结果表明，光解产物主要为一级谱中丰度较大的离子。用密度泛函方法（DFT）优化了Fe2Se2+的几何结构，并计算了其光解通道，能较好地解释光解的实验结果。
용격광직접천사적방법산생료철-서이원단족，병용천급비행시간질보의연구료이원단족적조빈화광해규률。일급보중조성FenSen+、FenSen-1+화FenSen-、FenSen+1-시이원단족적결구골가화은정조빈。단족정리자FenSen+적자외광해결과표명，광해산물주요위일급보중봉도교대적리자。용밀도범함방법（DFT）우화료Fe2Se2+적궤하결구，병계산료기광해통도，능교호지해석광해적실험결과。
Fe-Se binary cluster ions produced by direct laser ablation,were studied with a tandem time-of-flight masss pectrometer.It was found that FenSen+,FenSen-+ in cluster cations,FenSen-FenSen+1-in cluster anions were main compositions of binary cluster ions.The photodissociation of cations FenSem+showed that FenSen+,FenSen-1+ were main photofragments,confirming their special stablity.The possible structures of Fe2Se2+ were calculated by Density Function Theory(B3LYP/LANL2DZ).