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real9527木虫 (正式写手)
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[求助]
]Acta E 编辑的2个问题，请huofj2008进来领取金币
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发个单晶到Acta E, 遇到编辑有2个问题，超出自己范围，无法解答。因为我不想一开始把数据上传，在板块里经过私聊，找到huofj2008帮忙解答，主要通过email。但也出了点麻烦，导致金币没有给到huofj2008，问题在我。现在重开一贴，请huofj2008来领金币，我会请对方贴出解答的数据，不存在金币转移问题，请版主监督。 问题如下： 1. Abstract and Comment. I do not believe that the purported intramolecular C--H...O interaction has any structural importance (the angle around H is much too small). Delete all references to this. The bifurcated R^1^~2~(6) motif involving O2, H3A and H7A is more interesting, but you do not mention this (you should do so). More information is needed about pi...pi interactions. Are they edge-face or face-face? If edge-face, then what is the C-H pointing at? Centre of the ring? C=C? Allyl fragment? Butadiene fragment? If face-face, then what is the slippage as well as the centroid-centroid distance? 3. Redraw Figure 2 using only those H atoms involved in C--H...O interactions. The picture will be much clearer and will show that a hydrogen-bonded ribbon is formed by the R^1^~2~(6) motif. |
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real9527
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2楼2012-08-10 16:10:05
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感谢参与，应助指数 +1
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linhua0402313: 金币+50, 代楼主给金币 2012-08-12 12:31:22
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1. Abstract and Comment. I do not believe that the purported intramolecular C--H...O interaction has any structural importance (the angle around H is much too small). Delete all references to this. The bifurcated R^1^~2~(6) motif involving O2, H3A and H7A is more interesting, but you do not mention this (you should do so). More information is needed about pi...pi interactions. Are they edge-face or face-face? If edge-face, then what is the C-H pointing at? Centre of the ring? C=C? Allyl fragment? Butadiene fragment? If face-face, then what is the slippage as well as the centroid-centroid distance? the intramolecular C--H...O interaction has not importance. the intrermolecular C7--H7a...O2 interaction is very important. there is one pi...pi interaction, C1-C6 rings. 3. Redraw Figure 2 using only those H atoms involved in C--H...O interactions. The picture will be much clearer and will show that a hydrogen-bonded ribbon is formed by the R^1^~2~(6) motif. R^1^~2~(6) motif? i question it . |
3楼2012-08-12 10:35:39
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