기관회원 [로그인]
소속기관에서 받은 아이디, 비밀번호를 입력해 주세요.
개인회원 [로그인]

비회원 구매시 입력하신 핸드폰번호를 입력해 주세요.
본인 인증 후 구매내역을 확인하실 수 있습니다.

회원가입
서지반출
Trajectory Studies of Methyl Radical Reaction with Iodine Molecule
[STEP1]서지반출 형식 선택
파일형식
@
서지도구
SNS
기타
[STEP2]서지반출 정보 선택
  • 제목
  • URL
돌아가기
확인
취소
  • Trajectory Studies of Methyl Radical Reaction with Iodine Molecule
  • Trajectory Studies of Methyl Radical Reaction with Iodine Molecule
저자명
Lee. Sang-Kwon,Ree. Jong-Baik,Kim. Yoo-Hang,Shin. Hyung-Kyu
간행물명
Bulletin of the Korean Chemical Society
권/호정보
2005년|26권 9호|pp.1369-1380 (12 pages)
발행정보
대한화학회
파일정보
정기간행물|ENG|
PDF텍스트
주제분야
기타
이 논문은 한국과학기술정보연구원과 논문 연계를 통해 무료로 제공되는 원문입니다.
서지반출

기타언어초록

The reaction of methyl radical with iodine molecule on an attractive potential energy surface is studied by classical trajectory procedures. The reaction occurs over a wide range of impact parameters with the majority of reactive events occurring in the backward rebound region on a subpicosecond scale. A small fraction of reactive events take place in the forward hemisphere on a longer time scale. The ensemble average of reaction times is 0.36 ps. The occurrence of reactive events is strongly favored when the incident radical and the target molecule align in the neighborhood of collinear geometry. Since the rotational velocity of I2 is slow, the preferential occurrence of reactive events at the collinear configuration of $CH_3{ldots}I{ldots}$I leads to the reaction exhibiting an anisotropic dependence on the orientation of $I_2$. During the collision, there is a rapid flow of energy from the $H_3C{ldots}$I interaction to the I-I bond. The $CH_3I$ translation and $H_3C$-I vibration share nearly all the energy released in the reaction, and the distribution of the vibrational energy is statistical. The reaction probability is $cong$0.4 at the $CH_3$ and I2 temperatures maintained at 1000 K and 300 K, respectively. The probability is weakly dependent on the $CH_3;and;I_2$ temperatures between 300 K and 1500 K.