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제117회 대한화학회 학술발표회, 총회 및 기기전시회 Infrared Spectroscopic and Density functional Studies on Titanium Dinitrogen Complexes

2016년 2월 18일 09시 41분 18초
ANAL2.O-8 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
금 10시 : 08분
분석화학 - 젊은 분석화학자의 구두 발표 II (Oral Presentation of Young Analytical Chemists II)
저자 및
유해욱, 최창혁1, 조수경*, 고은미, 정유성2
국방과학연구소 국방고등기술원, Korea
1한국과학기술원(KAIST) EEWS대학원, Korea
2한국과학기술원(KAIST) EEWS 대학원, Korea
Polynitrogen or nitrogen rich compounds have got a lot of attentions due to their potential value as novel high energy materials (HEMs). among the various efforts to realize the nitrogen rich compounds, synthesizing the metal-nitrogen complexes is one of meaningful suggestions as shown in the other fields using metal-nitrogen interactions. In this study, titatnium-nitrogen complexes were generated by laser ablated Ti atoms and N2 gas molecules. These products were isolated on the pre-deposited solid Ar matrix, which enabled to be observed by infrared spectroscopy. Laser ablation of Ti with 15N2 isotope showed the infrared spectra with distinct isotopic shift that strongly proves the formation of nitrogen species. Density functional theory (DFT) calculation was also performed to investigate the IR frequencies of products with molecular configurations, which allowed the assignment of Ti(NN)x (x=2-6) isomer species from observed spectra.