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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，诚求解答（重金酬谢）
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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。恳请板块里的牛人帮忙。 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. 请有能力解决这2个问题的高手跟帖确认，我再把数据给你。先谢谢了 |
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7楼2012-08-01 12:09:59
2楼2012-07-31 21:31:36
real9527
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3楼2012-07-31 21:35:21
huangpeking 
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【答案】应助回帖
★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
linhua0402313: 金币+1, 感谢参与应助，希望对楼主有帮助 2012-08-01 08:00:40
real9527: 金币+10, ★有帮助, 很是感谢 2012-08-09 16:50:38
感谢参与，应助指数 +1
linhua0402313: 金币+1, 感谢参与应助，希望对楼主有帮助 2012-08-01 08:00:40
real9527: 金币+10, ★有帮助, 很是感谢 2012-08-09 16:50:38
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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? 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. 这个还是比较好弄。 编辑提醒你怎么去做了，首先在摘要部分，你自己提到的C-H..O short contacts 可能编辑不是很认可。反倒他觉得另外一组典型氢键更加有意思一点，你提到的pi-pi堆积给出更多的信息，比如距离，角度等。而且指出是哪种Pi-pi？ 第二个就是重新画图。 |
4楼2012-08-01 07:34:43