P-31 NMR shift calculator

Using this calculator you can predict the chemical shift (ppm) value for around 14000 primary [PH2R], secondary [PHR2] and tertiary [PR3] phosphines (phosphanes). A range of possible substituents are provided for; these include hydrocarbon fragments, such as methyl, ethyl, phenyl, vinyl etc as well as a number of fluorinated organic groups (CF3, C2F5 etc and fluorous chains, or ponytails). A full list of available group can be found in the selection boxes below.

If you wish to have new groups added to the list then please drop me an email, my address is given on the contacts page.

Select the three R groups for the phosphine from the drop-down boxes below:

   
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Days with events are highlighted, click, or hover on them for more details. Click here for the diary.

Fluorine News
The crystal packing diagram of [AuCl{Et2P(CF=CF2)}]

Going for Gold ...
Weak gold..gold (aurophilic) interactions were probed in a series of gold fluorophosphine complexes. In many cases other interactions were more important than aurophilicity more...

Fluorine
A cpu

Modern Computing
Without fluorine containing compounds such as NF3 and WF6 we wouldn't have todays semiconductors!