The pitfalls of using JHF spin–spin coupling constants to infer hydrogen bond formation in organofluorine compounds

Literature Information

Publication Date 2023-11-15
DOI 10.1039/D3CC05389J
Impact Factor 6.222
Authors

Guilherme Cariello, Lucas A. Zeoly, Bruno A. Piscelli, Thomas Lectka, Rodrigo A. Cormanich


View Original

Abstract

Theoretical decomposition of “through space” spin–spin coupling constants (SSCCs) in organofluorine compounds signal that intramolecular hydrogen bonds (H-bonds) are not the primary mechanism of transmission for SSCCs. Increasing solvent polarity may disrupt H-bonds, but not necessarily the JFH SSCC. Substituent effects may drastically alter the SSCC transmission pathway. Accurate SSCC analysis requires benchmarking theoretical calculations to support experimental data interpretation.

Related Literature

Contents list

2021-08-24 Front/Back Matter

DOI: 10.1039/D1RE90037D

Green, scalable, low cost and reproducible flow synthesis of biocompatible PEG-functionalized iron oxide nanoparticles

Julien Mahin, Christoph O. Franck, Luise Fanslau, Hirak K. Patra, Michael D. Mantle, Ljiljana Fruk, Laura Torrente-Murciano

2021-07-29 Paper

DOI: 10.1039/D1RE00239B

Antimicrobial polysiloxane polymers and coatings containing pendant levofloxacin

Alex Kugel, Scott Ebert, Michael Jepperson, Laura Jarabek, Shane Stafslien

2010-01-28 Paper

DOI: 10.1039/B9PY00309F

Contents

Front/Back Matter

DOI: 10.1039/C001642J

Lipase on carbon nanotubes – an active, selective, stable and easy-to-optimize nanobiocatalyst for kinetic resolutions

Cristian Andrei Gal, Laura Edit Barabás, Judith-Hajnal Bartha Vári, Mădălina Elena Moisă, László Csaba Bencze, Csaba Paizs, Monica Ioana Toșa

2021-09-21 Paper

DOI: 10.1039/D1RE00342A

In situ sensors for flow reactors – a review

Jun Li, Helena Šimek, David Ilioae, Nicole Jung, Stefan Bräse, Hans Zappe, Roland Dittmeyer, Bradley P. Ladewig

2021-04-16 Review Article

DOI: 10.1039/D1RE00038A

Structured hydrophilic domains on silicone elastomers

Vinodh Rajendra, Yang Chen, Michael A. Brook

2009-12-21 Paper

DOI: 10.1039/B9PY00220K

Effect of metal nitrate on mechanochemical nitration of toluene

Ashvin Vasudevan, Mirko Schoenitz, Edward L. Dreizin

2021-09-13 Paper

DOI: 10.1039/D1RE00307K

You might also like

Compound Q&A

What is the market or research trend for N-(4-Methoxybenzyl)-2-pyridinamine (CAS: 52818-63-0)?

N-(4-Methoxybenzyl)-2-pyridinamine (CAS: 52818-63-0) is increasingly being used ...

52818-63-0N-(4-Methoxybenzyl)-...
Compound Q&A

What precautions should be taken when handling Ethyl 4-(2-chlorophenyl)-1,3-thiazole-2-carboxylate (CAS: 1050507-06-6)?

When handling Ethyl 4-(2-chlorophenyl)-1,3-thiazole-2-carboxylate, appropriate p...

1050507-06-6Ethyl 4-(2-chlorophe...
Compound Q&A

What regulatory guidelines apply to diethyldiselane (CAS: 628-39-7)?

Diethyldiselane (CAS: 628-39-7) is classified under the Globally Harmonized Syst...

628-39-7Diethyldiselane
Compound Q&A

What is the market or research trend for oxocopper (CAS: 12053-18-8)?

The market for oxocopper (CAS: 12053-18-8) is primarily driven by its use in cat...

12053-18-8oxocopper; oxo-(oxoc...
Compound Q&A

What is the market or research trend for 5-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-azaspiro[2.4]heptane-7-carboxylic acid?

The market for 5-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-azaspiro[2.4]heptane-7-c...

1268519-54-55-{[(2-Methyl-2-prop...
Compound Q&A

What is 2-(1-Pyrrolidinyl)-4-pyridinamine (CAS: 35981-63-6)?

2-(1-Pyrrolidinyl)-4-pyridinamine is a chemical compound with the CAS number 359...

35981-63-62-(1-Pyrrolidinyl)-4...
Compound Q&A

What are the physical and chemical properties of 2-(3-Pyridinyl)-1-azabicyclo[2.2.2]octane (CAS: 91556-75-1)?

2-(3-Pyridinyl)-1-azabicyclo[2.2.2]octane (CAS: 91556-75-1) is a crystalline sol...

91556-75-12-(3-Pyridinyl)-1-az...
Compound Q&A

How is (S)-Alpha-allyl-proline hydrochloride (CAS: 129704-91-2) typically synthesized?

(S)-Alpha-allyl-proline hydrochloride is usually synthesized via a Wittig reacti...

129704-91-2(S)-Alpha-allyl-prol...
Compound Q&A

What is 3-Methyl-1,2-oxazole-5-carboxylic acid (CAS: 4857-42-5)?

3-Methyl-1,2-oxazole-5-carboxylic acid (CAS: 4857-42-5) is an organic compound w...

4857-42-53-Methyl-1,2-oxazole...
Compound Q&A

How is Lys-SMCC-DM1 (CAS: 1281816-04-3) typically synthesized?

Lys-SMCC-DM1 is synthesized via a multi-step process involving the coupling of S...

1281816-04-3Lys-SMCC-DM1

Source Journal

Chemical Communications

Chemical Communications
CiteScore: 8.6
Self-citation Rate: 4.7%
Articles per Year: 2458

ChemComm publishes urgent research which is of outstanding significance and interest to experts in the field, while also appealing to the journal’s broad chemistry readership. Our communication format is ideally suited to short, urgent studies that are of such importance that they require accelerated publication. Our scope covers all topics in chemistry, and research at the interface of chemistry and other disciplines (such as materials science, nanoscience, physics, engineering and biology) where there is a significant novelty in the chemistry aspects. Major topic areas covered include: Analytical Chemistry Catalysis Chemical Biology and medicinal chemistry Computational Chemistry and Machine Learning Energy and sustainable chemistry Environmental Chemistry Green Chemistry Inorganic Chemistry Materials Chemistry Nanoscience Organic Chemistry Physical Chemistry Polymer Chemistry Supramolecular Chemistry

Recommended Compounds

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.