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🇺🇦 nmr_spectroscopy / organic chemistry ⌬

🇺🇦 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 pp
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

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❓The correct answer is:
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It’s #NMRweekend time! 🧲🧩 Can you identify the correct structure based on the 1D NOESY spectrum? (Honestly, the ¹H NMR alon
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
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❓ The correct structure is:
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It’s #NMRweekend time! 🧲⁉️ Can you identify the correct structure based on the spectrum? Take part in the poll below 👇. I’l
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
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Negative chemical shifts in ¹³C NMR? Yes, they exist! 🧲📉 Take a look at picture, showing the spectrum for diiodomethane CH₂
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 👇
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❓The correct answer is:
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It’s #NMRweekend time! 🧲⁉️ Can you identify the correct structure based on the spectrum? Take part in the poll below 👇. #nm
It’s #NMRweekend time! 🧲⁉️ Can you identify the correct structure based on the spectrum? Take part in the poll below 👇. #nmrchallenge #quiz
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UPD ✅ The correct answer to this #NMRweekend challenge is Structure C! Here is the quick breakdown of how we get there: •Why
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!
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The correct answer is ❓❓
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It’s #NMRweekend time! 🧲🧩 Can you identify the correct structure based on the spectrum? Take part in the poll below 👇. #nm
It’s #NMRweekend time! 🧲🧩 Can you identify the correct structure based on the spectrum? Take part in the poll below 👇. #nmrchallenge #quiz
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What does sour look like on an NMR spectrometer? 🍋‍🟩📉 Here’s the 600 MHz ¹H NMR spectrum of lime juice. Those massive, int
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
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❓❓ The correct answer is:
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It’s #NMRweekend time! 🧲🧩 Can you identify the correct structure based on the 1D NOESY spectrum? (Honestly, the ¹H NMR alon
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
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Let's see the ¹⁹F counterpart! Having explored the complexity of the proton multiplet, we present the fluorine-19 signal for
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
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⁉️ the correct answer is:
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It’s #NMRweekend time! 🧲⁉️ Can you identify the correct structure based on the spectrum? Take part in the poll below 👇. I’l
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!
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❓❗️The correct answer is:
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It’s #NMRweekend time! 🧲⁉️ Can you identify the correct structure based on the spectrum? Take part in the poll below 👇. I’l
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
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Why the observed splitting is not the same as the coupling constant. #NMRMultiplet of a complex spin system with magnetically
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
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