Wednesday, October 2, 2019

nmr spectroscopy - Most negative and most positive value for proton chemical shifts


What are the most negative and the most positive values for proton chemical shifts recorded till present?



Answer



I don't know if the following two examples present the "largest" upfield and downfield proton-nmr chemical shifts, but I suspect they're in the running. The dihydropyrene dianion example has 16 pi electrons



enter image description here


delocalized around the periphery of the pyrene frame. It fits the 4n rule with n=4, so it is antiaromatic. The [16]-annulene dianion has 18 pi electrons and fits the 4n+2 rule with n=4, so it is aromatic. Note how the direction of the ring current reverses between antiaromatic (paramagnetic current) and aromatic (diamagnetic current) systems. More intesting proton chemical shifts can be found in this compilation.


Edit


Guilty of thinking organic. If we're including inorganic proton shifts, then how about IrHCl2(PMe(t-Bu)2)2 which has a chemical shift of -50.5!


No comments:

Post a Comment

digital communications - Understanding the Matched Filter

I have a question about matched filtering. Does the matched filter maximise the SNR at the moment of decision only? As far as I understand, ...