Understand Splitting Patterns for NMR Molecules

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Discussion Overview

The discussion revolves around understanding splitting patterns in NMR spectroscopy for specific molecules, particularly focusing on the CH2 group and its interactions with other groups like OH. Participants explore how to determine the splitting patterns and downfield shifts in resonance.

Discussion Character

  • Exploratory
  • Technical explanation
  • Debate/contested

Main Points Raised

  • One participant expresses confusion about determining the splitting pattern for CH2, suggesting that n values might be 1 and 3, but is unsure about the conclusion of a doublet quartet.
  • Another participant questions the understanding of equivalent hydrogens, proposing that both CH3 groups have equivalent hydrogens, leading to a potential pentet splitting pattern.
  • A different participant suggests that the initial assessment was more accurate and discusses the possibility of J values affecting the appearance of the splitting pattern.
  • There is a suggestion that the CH group would be the most downfield, with a participant noting that downfield shifts are influenced by the electronic environment of the protons.
  • One participant mentions that a quintet could occur if coupling to a nucleus with spin I=2, indicating that multiple interpretations of the splitting patterns exist.

Areas of Agreement / Disagreement

Participants do not reach a consensus on the splitting patterns or the reasoning behind downfield shifts, with multiple competing views and interpretations presented throughout the discussion.

Contextual Notes

Participants reference various assumptions about equivalent hydrogens and the influence of electronic environments on NMR signals, but these assumptions remain unresolved and depend on specific molecular contexts.

katiecool
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I am struggling to understand how to determine splitting patterns for molecules. For example, (see attached) I was trying to determine the splitting pattern for CH2 in the molecule. On the right i believe n is equal to 1 and on the right it is equal to 3, but i am not sure if this is correct. A doublet quartet doesn't make any sense to me and that is what i seem to conclude. The addition of the OH is really throwing me off. Also, on top of that how would i begin to determine which is farthest down field! Any help would be great!
 

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I'm sorry you are not generating any responses at the moment. Is there any additional information you can share with us? Any new findings?
 
I think that i am miss understanding how to determine which are equivalent hydrogen's. Equivalent hydrogen's act as a group. On both CH3's all the hydrogen's are equivalent. so "n" for both CH3's are equal to one. Thus i think it may be n=4 and n+1=5 so the splitting pattern would be a pentet? Can confirm that i am right?
 
You were more right the first time. It may be that the J values are similar so it looks like a quintet, but this is just a resolution thing. As to which is more downfield, what kind of groups have downfield resonances in general?
 
I agree, but what i wrote the first time is something i learned outside of my notes. A pentet was something in my notes. So a pentet is possible? and i think that it would be the the part of the molecule with the fewest hydrogens...so CH i think would be the farthest downfield?
 
A quintet would be more possible if you were only coupling to a nucleus with spin I=2, it's certainly not impossible.

I agree that the CH would be the most down field, but not because it has the fewest hydrogens. The CH in terminal alkynes for instance resonates at about δ3-4 from memory. Look into the electronic environment of the protons. I can see a similar thread on chemicalforums.com; it may be worth looking there too.
 

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