Five Slides About Percent Buried Volume in Chemistry
This presentation explores the concept of percent buried volume (%Vbur) in chemistry, focusing on steric parameters for phosphines, comparisons with cone angles, and practical calculations for crystal structures. References provided for further reading.
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Presentation Transcript
Five slides about PERCENT BURIED PERCENT BURIED VOLUME (% VOLUME (%V VBUR BUR) )
Steric parameters for phosphines Reproduced from Clavier, H. and Nolan, S.P. Chem. Commun. 2010, 46, 841 with permission from The Royal Society of Chemistry. http://dx.doi.org/10.1039/B922984A
Percent buried volume (%Vbur) 3.5 Reproduced from Clavier, H. and Nolan, S.P. Chem. Commun. 2010, 46, 841 with permission from The Royal Society of Chemistry. Reproduced from Clavier, H. and Nolan, S.P. Chem. Commun. 2010, 46, 841 with permission from The Royal Society of Chemistry. http://dx.doi.org/10.1039/B922984A
Comparison of cone angle and %Vbur in Au(PR3)Cl complexes Reproduced from Clavier, H. and Nolan, S.P. Chem. Commun. 2010, 46, 841 with permission from The Royal Society of Chemistry. http://dx.doi.org/10.1039/B922984A
Performing calculations Start with a crystal structure The R factor should be less than 7% If there is a large number in the file name this might cause troubles Upload the file to the site and run through the calculations
References Clavier, H. and Nolan, S.P. Chem. Commun. 2010, 46, 841. Poater, A.; Cosenza, B.; Correa, A.; Giudice, S.; Ragone, F.; Scarano, V.; Cavallo, L. Eur. J. Inorg. Chem. 2009, 1759.
