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[问题求助] How do you know it is a bond or not?

wanhoo

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1^# 大中小发表于 2007-7-22 02:06 只看该作者 看帖回帖是一种美德,您的回帖是对楼主最大的支持.

How do you know it is a bond or not?

In X-ray structure, some distances between two atoms reach the upper limit of bond distance range. Do you think it is bond or not? why? How can you calculate bond distance range? Do you use sum of atom radii or Waa de Wal radii? Thank a lot!

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2^# 大中小发表于 2007-7-22 02:30 只看该作者 查阅本站最新书籍

In this situation, I suggest you do some theoretical calculations to make sure if there is a bond between to atoms. You can use the theory of "Atoms in Molecules" (AIM) and the software AIMPAC.
http://www.chemistry.mcmaster.ca/faculty/bader/aim/
or http://www.aim2000.de/

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choscar 在2007-7-22 09:59 评分：金币 +5 原因：感谢分享再接再厉

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3^# 大中小发表于 2007-7-22 04:03 只看该作者 查阅本站最新书籍

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Thanks!

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