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 crystal packing diagram of [PtBr2{iPr2P(CF=CF2)}2]

[PtBr2{PiPr2(CF=CF2)}2]
Only the second ever unit cell to contain both cis- and trans- isomers of the same complex at the same time. (And the other one is fluorine containing as well!) more...

Fluorine
water beads on a surface

Repelency coatings
Many water repellency treatments for clothes and equipment, such as coats, shoes and tents, are based on fluorochemicals.