本計畫主要研究三原子自由基與固態分子之光譜學，這些分子光譜之重要性不僅在決定其分子結構與分子內作用力，更在於材料科技之應用。我們已完成鹵化亞甲基分子(HCX, CX2, X= Cl, Br)之光譜學與相關動力學研究，成功訂出此類分子之基態振動結構與單重態三重態能量間距。本計畫將擴展此研究，繼續深入探討此類分子尚未解決之問題如精確地決定CCl2和CBr2單重態三重態能量間距，與探討半導體工業上之重要三原子自由基如GeCl2和GeBr2之電子光譜學。我們將利用本實驗室已建立之設備如雷射誘發螢光直流放電自由噴射(laser-induced fluorescence spectroscopy in a direct current discharge free jet expansion)等技術與激發放射（stimulated emission pumping）光譜技術來取得新的分子光譜以解釋此類分子之複雜光譜行為，進一步擴展其應用至反應動力學和動態學。而在固態分子上，我們將著重於含鑭系離子（lanthanide ions）之晶體光譜分析與金屬奈米粒子（metal nanoparticles）之相關光譜學研究。我們已證明這些固態分子的光譜學研究如激發光譜（excitation）、放射光譜（photoluminescence）、能量轉換光譜（up-conversion）、拉曼光譜（Raman），可以有效用於決定固態材料內的分子結構，而且互補於一些其他結構鑑定技術如X射線繞射、電子顯微技術所無法提供的完整資訊。我們將擴大與其他領域之合作，以群體之力量來共同研究這些分子在材料化學上之應用。我們目前已有令人相當滿意的初步成果，如蒙補助採購必要的設備，將來應有相當豐碩的成果。This proposal aims to study the spectroscopy of triatomic radicals and solid-state molecules that play a key role in materials science. These spectra are import in the structure determination as well as in future applications of materials science. We have conducted the studies on the electronic spectroscopy and the related kinetics of simple halocarbenes (HCX or CX2, X= Cl, Br). Our results determined the ground state vibrational structure and the singlet-triplet energy gap in these molecules. This proposal will answer some unsolved questions such as the accurate singlet-triplet energy gap in CCl2 and that in CBr2, and will extend to the electronic spectroscopy of other triatomic radicals related to semi-conductor manufacturing such as GeCl2 and GeBr2. The well-developed techniques in our laboratory such as laser-induced fluorescence spectroscopy in a direct current discharge free jet expansion and the proposed new technique such as stimulated emission pumping (SEP) will be employed to record new electronic spectra of the proposed molecules to obtain the desired data. The new spectroscopic data will benefit not only our basic understanding of molecular spectroscopy, but also the related chemical kinetics and dynamics. We are also interested in the spectroscopy of sold-state molecules including crystals containing lanthanide ions and metal nanoparticles. Thus far, it has been successfully demonstrated by our group that spectroscopic data such as excitation, photoluminescence, up-conversion, and Raman spectra are crucial in determining the structures of solid-state molecules, whose structure cannot be unambiguously determined by other characterization techniques such as X-ray diffraction and electronic microscopy. Our goal is to improve our techniques in this area and to extend for other solid-state molecules. We already have satisfactory accomplishments and will collaborate with other groups to investigate possible applications of these molecules in materials science. If this proposal is supported, fruitful results could be expected in near future. 研究期間：9808 ~ 9907
