🇺🇦 nmr_spectroscopy / organic chemistry ⌬
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https://linktr.ee/nmr_spectroscopy 🧲 Small molecules NMR 📚Theory and practice 🟢only useful information in the feed 🔴no scientific trash #nmr #nmrchat #chemistry
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پستهای کانال
In today’s #NMRMultiplet we’re going to consider this complex 1H NMR signal from a norbornane derivative (centered at 2.23 ppm, labeled (tdd).
🔍 Feature Highlights:
1️⃣ Distinct W-Coupling (4J): Highlighted with the red curved line in the picture is a clear 4J(H,H) W-coupling (approximately 3.5 Hz) to a bridge syn-proton. The unique rigid skeleton provides the ideal geometry for this strong long-range “W” interaction.
2️⃣ Negligible Bridgehead Coupling (3J): Notice that there is no 3J coupling to the adjacent bridgehead proton. This is a classic Karplus relationship in action: the dihedral angle between this target proton and the bridgehead H is approximately 90°, predicting a vicinal constant near zero.
3️⃣ Decoding the rest: The other three couplings in our splitting tree are: 14.67 Hz, 14.67 Hz, and 11.13 Hz. They come from vicinal 3J(H,F) interactions and a geminal 2J(H,H) pairing.
#coupling #norbornane
| 2 | ❓The correct answer is: | 518 |
| 3 | It’s #NMRweekend time! 🧲🧩
Can you identify the correct structure based on the 1D NOESY spectrum? (Honestly, the ¹H NMR alone is enough to crack this one 😉).
Take part in the poll below 👇. I’ll post the full explanation in a few days!
#nmr #nmrchat #chemistry #quiz | 509 |
| 4 | ❓ The correct structure is: | 803 |
| 5 | It’s #NMRweekend time! 🧲⁉️
Can you identify the correct structure based on the spectrum?
Take part in the poll below 👇. I’ll post the full explanation in a few days.
#nmrchallenge #quiz | 753 |
| 6 | Negative chemical shifts in ¹³C NMR? Yes, they exist! 🧲📉
Take a look at picture, showing the spectrum for diiodomethane CH₂I₂. Normally, bonding a carbon to highly electronegative halogens strips away electron density, deshielding the nucleus and pushing the signal downfield. But iodine plays by a completely different set of rules!
As you can see, the ¹³C signal sits way upfield at a staggering -66.6 ppm.
Why does this happen?
It’s all thanks to the Heavy Atom Effect, specifically, the HALA (Heavy Atom on Light Atom effect). Because iodine is so massive, relativistic effects—primarily spin-orbit coupling—kick in. This induces a massive shielding environment at the directly attached carbon nucleus, overpowering the standard inductive effect.
Fun fact: This shielding is highly localized! Notice how the ¹H shift for the CH₂ group stays perfectly normal at 3.87 ppm. The spin-orbit coupling diminishes rapidly with distance, leaving the protons largely unaffected.
Have you ever worked with heavily iodinated compounds like iodoform CHI₃ or carbon tetraiodide CI₄? The shifts go even further into the negative! Drop your favorite NMR anomalies in the comments on my Substack 👇 | 777 |
| 7 | ❓The correct answer is: | 855 |
| 8 | It’s #NMRweekend time! 🧲⁉️
Can you identify the correct structure based on the spectrum?
Take part in the poll below 👇.
#nmrchallenge #quiz | 843 |
| 9 | UPD ✅ The correct answer to this #NMRweekend challenge is Structure C!
Here is the quick breakdown of how we get there:
•Why not A? We would expect to see 3 distinct methyl signals (an N-Me at ~3 ppm and two C-Me at ~1.8–1.9 ppm). Our spectrum only has 2 signals!
•Why not B? Methylene protons attached to an iodine (CH2-I) usually show up downfield around 3.5 ppm. The spectrum is completely empty there.
•Why C? The chemical shifts are a perfect match, and the spectrum reveals a classic feature of rigid bicyclic systems: strong 4-bond couplings. If you check the expanded region, the ¹³C satellites of the CH2 signal are beautifully split by a coupling constant of ⁴J = 9.3 Hz! | 1 243 |
| 10 | The correct answer is ❓❓ | 1 256 |
| 11 | It’s #NMRweekend time! 🧲🧩
Can you identify the correct structure based on the spectrum?
Take part in the poll below 👇.
#nmrchallenge #quiz | 1 213 |
| 12 | What does sour look like on an NMR spectrometer? 🍋🟩📉
Here’s the 600 MHz ¹H NMR spectrum of lime juice. Those massive, intense peaks between 2.6 and 2.8 ppm? That’s the defining feature of lime: citric acid, showing off a textbook AB spin system thanks to its diastereotopic protons.
You can also clearly see the complex sugar region (glucose and fructose) from 3.2–4.2 ppm, and the alpha-glucose anomeric proton doublet sitting at 5.22 ppm. Unlike oranges, limes are very low in sucrose, which is perfectly reflected in the missing high-intensity sucrose signals!
More details on my Substack.
#naturalproducts #lime | 1 286 |
| 13 | ❓❓ The correct answer is: | 927 |
| 14 | It’s #NMRweekend time! 🧲🧩
Can you identify the correct structure based on the 1D NOESY spectrum? (Honestly, the ¹H NMR alone is enough to crack this one 😉).
Take part in the poll below 👇. I’ll post the full explanation in a few days!
#nmrchallenge #quiz | 892 |
| 15 | Let's see the ¹⁹F counterpart!
Having explored the complexity of the proton multiplet, we present the fluorine-19 signal for the exact same 1,3,5-trifluorobenzene molecule (AA'A''XX'X'').
Since the audience is now well-acquainted with why simple n+1 rules and coupling trees fail for this system, this comparison is a final piece of the puzzle.
Key points:
• Same Molecule, Same Spin System: The same underlying J-coupling values were used for this calculation, as listed.
• Equally Complex: The 19F multiplet is just as non-first-order and challenging to interpret by eye.
• Another Perfect Match: Calculated by NMR solutions Ltd. (ctb.nmrsolutions.fi), demonstrating again that full quantum mechanical simulation is the only way to obtain precise results for these complex, field-independent symmetric patterns.
#nmrchat #nmrmultiplet #spin #coupling #19FNMR | 1 051 |
| 16 | ⁉️ the correct answer is: | 1 043 |
| 17 | It’s #NMRweekend time! 🧲⁉️
Can you identify the correct structure based on the spectrum?
Take part in the poll below 👇. I’ll post the full explanation in a few days. 😉
#nmrchallenge #quiz
📱Telegram | 📱Instagram | 📱Twitter | 📱LinkedIn | ☕️BuyMeACoffee | Substack! | 1 006 |
| 18 | ❓❗️The correct answer is: | 1 104 |
| 19 | It’s #NMRweekend time! 🧲⁉️
Can you identify the correct structure based on the spectrum?
Take part in the poll below 👇. I’ll post the full explanation in a few days. 😉
#nmrchallenge #quiz | 1 050 |
| 20 | Why the observed splitting is not the same as the coupling constant.
#NMRMultiplet of a complex spin system with magnetically non-equivalent nuclei. If you try to describe this signal using a coupling tree or the n+1 rule, you'll get the wrong results. 🛑
Here are a few insights regarding such cases:
1️⃣ Coupling trees only work for first-order spectra. They do not accurately reflect second and higher-order patterns.
2️⃣ The peak distances we see are not the underlying J-constants. To accurately determine chemical shifts and constants, full quantum mechanical calculations are needed (notice the perfect match between the experimental and calculated spectra on the plot 📉).
3️⃣ A bigger magnet won't help! 🧲 The splitting pattern of symmetric spin systems is independent of the field strength. This signal would look exactly the same even at 1.2 GHz!
More details and a deep dive into this system are waiting for you in my Substack!
#spin #coupling | 960 |
