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진동에너지에 의한 산화질소 분자(NO)의 음이온(NO-)으로의 환원반응에 관한 연구

A Study on the Reduction of Nitric Oxide Molecule (NO) to Nitroxyl Anion (NO-) by Vibrational Energy

  • 발행 : 2002.02.20

초록

산화질소 분자(NO)가 전자 한 개를 받아 산화질소 음이온$(NO^-)$으로 환원되는 반응의 정도가 진동에너지에 따라 크게 달라질 수 있음을 제시하였다. NO와 $NO^-$의 포텐샬에너지 표면은 진동에너지가 많아짐에 따라 NO 분자가 전자를 받아 $NO^-$음이온으로 바뀔수 있는 에너지적 측면을 가짐을 보여준다. 또한, 진동 파동함수간의 Franck-Condon 인자를 계산하였다. 진동에너지가 많아지면 NO에서 $NO^-$로 바뀔 경로가 더 많이 증가함을 보인다. 이 결과는 NO 분자에게 적절한 빛을 조사시킴으로 $NO^-$이온으로의 환원반응속도를 조절할 수 있음을 의미한다.

It is shown that one-electron reduction of nitric oxide (NO) to nitroxyl anion $(NO^-)$ can be accelerated by vibrational energy. Potential energy surfaces of NO and $NO^-$ reveal that the vertical transition between them has favorable energetics for vibrationally excited molecule. Also, Franck-Condon factors between NO and $NO^-$ vibrational wave functions are calculated. It shows that the number of open channels increases with increased vibrational energy. These results mean that we can control the rate of reduction of NO to $NO^-$ by radiating an appropriate light.

키워드

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피인용 문헌

  1. Vibrational relaxation of NO on Au(111) via electron-hole pair generation vol.125, pp.15, 2006, https://doi.org/10.1063/1.2357740
  2. Vibrationally promoted electron emission from low work-function metal surfaces vol.124, pp.6, 2006, https://doi.org/10.1063/1.2166360