선택한 단어 수는 입니다.
최소 단어 이상 선택하여야 합니다.
최소 단어 이상 선택하여야 합니다.
선택한 단어 수는 30입니다.
최대 10 단어까지만 선택 가능합니다.
최대 10 단어까지만 선택 가능합니다.
제안 방법
- From the analysis, we confirm the existence of two isomeric trimethylbenzyl radicals, 2,3,4- and 2,3,6-trimethylbenzyl in corona discharge, and determined the spectroscopic data in the D1 → D0 electronic transition as well as the vibrational modes in the ground electronic state.
- Nevertheless, the most trustworthy identification method is to analyze a highresolution spectrum exhibiting a rotational structure, as in the routine spectroscopic analysis of molecules. Since the spectrum obtained in this work showed a limited resolution and rotational temperature, we attempted to obtain the evidence of each isomer by comparing with those obtained from calculation and vibrational mode assignments.
- The ab initio calculations were carried out on the ground electronic state (D0) of the isomeric trimethylbenzyl radicals to assist the assignment of the vibronic structure of the spectrum. The calculations were performed with a personal computer equipped with an Intel Pentium IV CPU 2.
- 0GB RAM, according to the standard methods included in the Gaussian03 program. The geometry optimization and vibrational frequency calculations were performed at the DFT level, and the 6-311G** basis set was employed in all of the calculations.
※ AI-Helper는 부적절한 답변을 할 수 있습니다.