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 packing diagram of [AuCl{Et2P(CF=CF2)}]

Fluorus domains ...
As quoted in "Fluorous Chemistry" (Current Topics in Chemistry, 308) by systematically varying the fluorinated group in a series of gold fluorophosphine complexes we could probe the generation of fluorous domains in a series of otherwise similar complexes. more...

Fluorine
A cpu

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