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Chemistry Forums for Students => Organic Chemistry Forum => Organic Spectroscopy => Topic started by: qw098 on February 13, 2012, 04:19:56 PM

Title: Distinguishing enantiomers and diastereomers by IR/NMR
Post by: qw098 on February 13, 2012, 04:19:56 PM
Hi guys,

I was wondering if it possible to distinguish enantiomers or diastereomers by either IR or NMR?

Thanks!!

My guess is that IR wouldn't help distinguish enantiomers nor diastereomers but I just want to make sure :) I tried googling it, but with no avail!
Title: Re: Distinguishing enantiomers and diastereomers by IR/NMR
Post by: Honclbrif on February 13, 2012, 04:34:51 PM
What's the difference between the members of a diastereomeric pair? Might these differences conceivably be reflected in a spectrum?

What's the difference between the members of an enantiomeric pair? Might these differences conceivably be reflected in a spectrum?
Title: Re: Distinguishing enantiomers and diastereomers by IR/NMR
Post by: qw098 on February 13, 2012, 05:11:41 PM
In an enantiomer, all the chiral centers are opposite for the two compounds, while in a diastereomer, not all of the chiral centers are different between the two compounds.
Title: Re: Distinguishing enantiomers and diastereomers by IR/NMR
Post by: Honclbrif on February 13, 2012, 06:09:35 PM
In an enantiomer, all the chiral centers are opposite for the two compounds, while in a diastereomer, not all of the chiral centers are different between the two compounds.

So what does this mean for the chemical and physical properties of a diastereomeric pair vs. the properties of an enantiomeric pair?
Title: Re: Distinguishing enantiomers and diastereomers by IR/NMR
Post by: qw098 on February 13, 2012, 06:26:08 PM
IR can't distinguish between enantiomers nor diastereomers while NMR can only distinguish between enantiomers and not diastereomers :)
Title: Re: Distinguishing enantiomers and diastereomers by IR/NMR
Post by: Honclbrif on February 13, 2012, 06:46:32 PM
Not quite.

Diastereomers have different chemical and physical properties, while enantiomers have the same properties*. Do you think this would make it easier to distinguish between an enantiomeric pair or a diastereomeric pair?

*As long as they are in an achiral enviroment such the average NMR experiment
Title: Re: Distinguishing enantiomers and diastereomers by IR/NMR
Post by: qw098 on February 13, 2012, 07:12:05 PM
Ah ok.

For IR, enantiomers would have the same spectra, but diastereomers would have different spectra.

For NMR, the same holds true, with the exception if we do our NMR experiment in an achiral experiment :)
Title: Re: Distinguishing enantiomers and diastereomers by IR/NMR
Post by: Honclbrif on February 13, 2012, 07:24:21 PM
Ah ok.

For IR, enantiomers would have the same spectra, but diastereomers would have different spectra.

For NMR, the same holds true, with the exception if we do our NMR experiment in an achiral experiment :)

Thats pretty much it. Depending on the exact structures, the spectra of the hypothetical diastereomers may be quite similar, but there should be some difference. The best way to get an achiral environment in an NMR experiment to distinguish enantiomers is to use a chiral shift reagent.
Title: Re: Distinguishing enantiomers and diastereomers by IR/NMR
Post by: qw098 on February 14, 2012, 07:19:37 AM
Thanks Honclbrif :)
Title: Re: Distinguishing enantiomers and diastereomers by IR/NMR
Post by: Dan on February 14, 2012, 04:01:54 PM
For NMR, the same holds true, with the exception if we do our NMR experiment in an achiral experiment :)

Thats pretty much it. Depending on the exact structures, the spectra of the hypothetical diastereomers may be quite similar, but there should be some difference. The best way to get an achiral environment in an NMR experiment to distinguish enantiomers is to use a chiral shift reagent.

We need to switch "achiral" for "chiral" here.

Enantiomers have identical properties in an achiral environment.

They have different properties in a chiral environment, so they can be distinguished in a chiral environment such as a chiral solvent, or complexed with a chiral shift reagent.
Title: Re: Distinguishing enantiomers and diastereomers by IR/NMR
Post by: Honclbrif on February 14, 2012, 05:45:59 PM
Argh! Brain fart! Thanks for catching that one, Dan.
Title: Re: Distinguishing enantiomers and diastereomers by IR/NMR
Post by: qw098 on February 14, 2012, 06:07:32 PM
Thanks Dan!

Funny, I had a test today... and I mentioned what you said Honclbrifl as an aside that you couldn't distinguish enantiomers by NMR.

The test said... "suggest possible structures" : I then drew a structure and wrote as a small aside, "the other enantiomer might exist, but NMR couldn't distinguish it.. then I mentioned that you could possibly use Mosher's acid in an NMR experiment to distinguish between the enantiomers..."

I later realized (after the test, about 2 hours after) that the compound didn't even have a chiral center... so obviously there isn't an enantiomer... brain fart on my part too :)

I tried to be "clever" and it bit me on the tongue :P I won't lose marks though, but I did sound like a nice idiot :)
Title: Re: Distinguishing enantiomers and diastereomers by IR/NMR
Post by: agugliotta on February 01, 2016, 10:01:15 PM
Hello - a bit delayed to this forum, but in regard to IR with enantiomers: so if an unknown illicit drug were to come back as amphetamine hydrochloride with the IR absorbance spectrum, I would not be able to tell if it is l or d? 

A sample test question I have notes:  If the spectrum for a previously unidentified drug matches that of an l-amphetamine HCL, which is a justifiable conclusion?  1- the unknown IS l-amphetamine HCL or 2 - the unknown could be d-amphetamine HCL.  Wondering which would make more sense if IR cannot distinguish... thank you!!!