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제108회 대한화학회 학술발표회, 총회 및 기기전시회 안내 Ion-Molecule Reactions within M+(CH3COOCH3)n (M= V, Fe) Heteroclusters

등록일
2011년 8월 1일 15시 01분 52초
접수번호
1180
발표코드
Ⅲ-PHYS.P-4 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
발표시간
금 <발표Ⅲ>
발표형식
포스터
발표분야
물리화학
저자 및
공동저자
폴다바브라타, 홍기룡, 김태규, 정광우1
부산대학교 화학과, Korea
1원광대학교 화학과, Korea
Intracluster ion?molecule reactions of M+(CH3COOCH3)n (M= V, Fe) complexes produced by the mixing of laser-vaporized plasmas and pulsed supersonic beams were investigated by reflectron time-of-flight mass spectrometry. The major sequence of cluster ions with the formula M+(CH3COOCH3)n and M+(OCH3)(CH3COOCH3)n were attributed to the competitive insertion of M+ into the C-O and C(O)-O bond of CH3COOCH3 within the heteroclusters, followed by methyl and acetyl radical elimination, respectively. The other M+(CH3(OCH3)(CH3COOCH3)n cluster ion (dominating for V+ ion) is interpreted as arising from the insertion of M+ into the C(O)-O bond of the ester group, followed by CO elimination. In addition, the VO+ ion formation and sequential insertions reaction of this ion also reported. Density functional theory (DFT) calculations were carried out to model the structures and binding energies of both the association complexes and the relevant reaction products of V+(CH3COOCH3)n cluster.

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