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real9527

木虫 (正式写手)

[求助] ]Acta E 编辑的2个问题,请huofj2008进来领取金币

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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1楼自己站,呵呵。也请围观的虫友不要在跟帖了,此帖属于还金币的。
蝼蚁般存在的你,如何留在我的记忆里?
2楼2012-08-10 16:10:05
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huofj2008

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感谢参与,应助指数 +1
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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 .
霍方俊
3楼2012-08-12 10:35:39
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