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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Fluorine News
the fluoroalkyl phosphine Ph2PC3F7

Ph2P(i-C3F7)
We reported (Chem. Commun. 2009, 6658) the first generic route to fluoroalkyl-containing phosphines. more ...

Fluorine
A non-stick frying pan

Non-stick coatings
Non-stick fluorinated plastics, such as Teflon(TM) are found in pans and the roof of the Millenium dome!