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
Reaction Dynamics of CH3 + HBr → CH4 + Br at 150-1000 K
[STEP1]서지반출 형식 선택
파일형식
@
서지도구
SNS
기타
[STEP2]서지반출 정보 선택
  • 제목
  • URL
돌아가기
확인
취소
  • Reaction Dynamics of CH3 + HBr → CH4 + Br at 150-1000 K
  • Reaction Dynamics of CH3 + HBr → CH4 + Br at 150-1000 K
저자명
Ree. Jongbaik,Kim. Yoo Hang,Shin. Hyung Kyu
간행물명
Bulletin of the Korean Chemical Society
권/호정보
2013년|34권 8호|pp.2473-2479 (7 pages)
발행정보
대한화학회
파일정보
정기간행물|ENG|
PDF텍스트
주제분야
기타
이 논문은 한국과학기술정보연구원과 논문 연계를 통해 무료로 제공되는 원문입니다.
서지반출

기타언어초록

The kinetics of the radical-polar molecule reaction $CH_3+HBr{ ightarrow}CH_4+Br$ has been studied at temperatures between 150 and 1000 K using classical dynamics procedures. Potential energy surfaces constructed using analytical forms of inter- and intramolecular interaction energies show a shallow well and barrier in the entrance channel, which affect the collision dynamics at low temperatures. Different collision models are used to distinguish the reaction occurring at low- and high-temperature regions. The reaction proceeds rapidly via a complex-mode mechanism below room temperature showing strong negative temperature dependence, where the effects of molecular attraction, H-atom tunneling and recrossing of collision complexes are found to be important. The temperature dependence of the rate constant between 400 and 1000 K is positive, the values increasing in accordance with the increase of the mean speed of collision. The rate constant varies from $7.6{ imes}10^{-12}$ at 150 K to $3.7{ imes}10^{-12}$ at 1000 K via a minimum value of $2.5{ imes}10^{-12};cm^3;molecule^{-1};s^{-1}$ at 400 K.