Chiral Reagents for the Determination of Enantiomeric Excess and Absolute Configuration Using NMR  Spectroscopy

DMSO,CD3COCD3的碳峰是7重峰,为什么它们的氢谱是5重峰呢,这是怎么计算的呢？

      根据2n+1规则。对于碳谱2n+1=2*3+1=7 为7重峰，这很容易理解。
氘代溶剂氢的偶合情况和碳谱一样－－氘的偶合。不过对于氢造成分裂的原因是j2偶合。
      在氘代溶剂里会混有少量氘代不完全的溶剂，如氘代DMSO（DMSO-d6）混有氘代不完全的DMSO即DMSO-d5,DMSO-d4, DMSO-d3...称为残余溶剂峰，在这些残余溶剂峰中以DMSO-d5(CD3SOCHD2)为主，氢谱的溶剂峰即为该质子的信号，它与另两个氘原子偶合而呈5重峰（2n+1=2*2+1=5）。

【Speaker】Dice
【Affiliation】HKUST
【Time】2005
【Venue】
【Abstract】My PPT in a course presentation. Some basic keyword and example in Gaussian03 and some recent paper using NMR calculation, including chemical shift, coupling constant and Chemical shift anisotropy were introduced.

【Fulltext】http://www.box.net/shared/neblpjqt00

http://chem8.org/bbs/thread-5780-1-1.html

http://chem8.org/bbs/thread-5721-1-1.html

NMR Chemical Shifts of Common Laboratory Solvents as Trace Impurities

A Practical Guide to First-Order Multiplet Analysis in lH NMR


Method for Easily Determining Coupling Constant Values

[ 本帖最后由 cc136520 于 2007-6-17 10:28 编辑 ]

核磁共振、理论化学、配位化学专家－－－程功臻
http://chem8.org/bbs/thread-5451-1-1.html


1HNMR图谱中活泼氢的识别方法
http://chem8.org/bbs/thread-5814-1-1.html

2D-NMR技术确定化合物结构的综述
http://chem8.org/bbs/thread-6166-1-1.html

简介一下核磁共振
NMR.txt (5.73 KB)

NMR.txt (5.73 KB)
下载次数: 5

2007-7-5 14:09

Here are some links to other useful and/or interesting NMR related websites. Enjoy!

http://chemnmr.colorado.edu/ammrl/

    * Association of Managers of Magnetic Resonance Labs (AMMRL)

A gold mine of information, containing links to most other NMR websites. Provides information on software, pulse sequences, NMR discussion groups, vendors, and on and on.

http://www.acornnmr.com/

    * Acorn NMR

Supplies NUTS software; site has many useful NMR-related links.

http://www.spectroscopynow.com/coi/cda/home.cda?chId=5

    * The "NMR Knowledge Base"

An extensive and continually updated site with a variety of NMR related information, including announcements of conferences dealing with NMR and employment opportunities.

Some useful links

Here are some links to other useful and/or interesting NMR related websites. Enjoy!

http://chemnmr.colorado.edu/ammrl/

    * Association of Managers of Magnetic Resonance Labs (AMMRL)

A gold mine of information, containing links to most other NMR websites. Provides information on software, pulse sequences, NMR discussion groups, vendors, and on and on.

http://www.acornnmr.com/

    * Acorn NMR

Supplies NUTS software; site has many useful NMR-related links.

http://www.spectroscopynow.com/coi/cda/home.cda?chId=5

    * The "NMR Knowledge Base"

An extensive and continually updated site with a variety of NMR related information, including announcements of conferences dealing with NMR and employment opportunities.