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  • 08월 28일 16시 이후 : 초록수정 불가능, 일정확인 및 검색만 가능

Thermally Stable Intermolecular Proton Bonds in Polyaromatic Aldehyde Crystals

등록일
2008년 8월 17일 16시 16분 49초
접수번호
1546
발표코드
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발표시간
목 <발표Ⅱ>
발표형식
포스터
발표분야
물리화학
저자 및
공동저자
허성우, 황인철, 김광수, 김승빈
포항공과대학교 화학과, Korea
We report the noble intermolecular proton-bonded aldehydes of polyaromatic hydrocarbons. The charge of the hydrogen involving in the O-H+-O bond is +0.51 au (i.e., more proton-like). The proton bond between aldehydes corresponds to the Zundel-like cationic hydrogen bond (where two O atoms share a proton in the midpoint of the short O-O distance of ~2.4 Å), which is quite different from the H-bonds associated with the carboxylic acids. At varying temperatures, the crystal structures are analyzed with synchrotron X-rays in the range of 100-370K, and their IR spectra between 500 and 4000 cm-1 are measured and characterized in the range of 123-413K. We obtained clear Zundel-like proton signatures from the O-H+-O vibrational spectra (~1000 cm-1 instead of the normal H-bond signature around ~3000 cm-1), which is the first demonstration in crystals. The proton bonds are thermally very stable up to 393 K due to the π-π stacking interactions between aromatic rings. We also show how much the O-H+-O distance and the vertical π-stacking distances change with the increasing temperature.

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