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北京石油化工学院2026年研究生招生接收调剂公告
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dewpoint

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[求助] What is the hybrid orbital of oxygen in n-butanol?

Hi all,

What is the hybrid orbital of oxygen in n-butanol? When i use the NBO to analysis this molecule, it shows that in the C-O bond, the oxygen is SP2, but in the OH bond the oxygen is SP3 which is not consistent with each other. Will you please take a look if you know? Thanks!
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mchen10

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sp2.x

2.x约等于3
更痛苦的是梦没醒路已经不能走了
2楼2011-05-31 00:42:04
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dewpoint

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引用回帖:
Originally posted by mchen10 at 2011-05-31 00:42:04:
sp2.x

2.x约等于3

will you please explain in detail? thanks!
3楼2011-05-31 01:49:29
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mchen10

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★ ★
zhou2009(金币+2): 对! 2011-05-31 09:56:39
引用回帖:
Originally posted by dewpoint at 2011-05-30 05:49:29:
will you please explain in detail? thanks!

(我觉得)nbo是人为地将MO中的density分到成键的原子中去,只是分割方法的其中之一,得到的结论因此也是定性的,不应该看得太重
更痛苦的是梦没醒路已经不能走了
4楼2011-05-31 07:26:16
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