Quantitative analysis of 14N quadrupolar coupling using 1H detected 14N solid-state NMR
Literature Information
James A. Jarvis, Maria Concistre, Richard W. Bounds, Ilya Kuprov, Marina Carravetta, Philip T. F. Williamson
Magic-angle spinning solid-state NMR is increasingly utilized to study the naturally abundant, spin-1 nucleus 14N, providing insights into the structure and dynamics of biological and organic molecules. In particular, the characterisation of 14N sites using indirect detection has proven useful for complex molecules, where the ‘spy’ nucleus provides enhanced sensitivity and resolution. Here we exploit the sensitivity of proton detection, to indirectly characterise 14N sites using a moderate rf field to generate coherence between the 1H and 14N at moderate and fast-magic-angle spinning frequencies. Efficient numerical simulations have been developed that have allowed us to quantitatively analyse the resulting 14N lineshapes to determine both the size and asymmetry of the quadrupolar interaction. Exploiting only naturally occurring abundant isotopes will aid the analysis of materials with the need to resort to isotope labelling, whilst providing additional insights into the structure and dynamics that the characterisation of the quadrupolar interaction affords.
Recommended Journals
Related Literature
From non-conductive MOF to proton-conducting metal-HOFs: a new class of reversible transformations induced by solvent-free mechanochemistry
Marcin Oszajca, Dariusz Matoga
DOI: 10.1039/D3SC04401G
Boosting the interfacial dynamics and thermodynamics in polyanion cathode by carbon dots for ultrafast-charging sodium ion batteries
Yujin Li, Yu Mei, Roya Momen, Bai Song, Yujie Huang, Xue Zhong, Hanrui Ding, Wentao Deng, Guoqiang Zou, Hongshuai Hou, Xiaobo Ji
DOI: 10.1039/D3SC05593K
Optimizing copper nanoparticles with a carbon shell for enhanced electrochemical CO2 reduction to ethanol
Ting Yao, Wei Xia, Shitao Han, Shuaiqiang Jia, Xue Dong, Min Wang, Jiapeng Jiao, Dawei Zhou, Jiahao Yang, Xueqing Xing, Chunjun Chen
DOI: 10.1039/D3SC04061E
A copper(ii) peptide helicate selectively cleaves DNA replication foci in mammalian cells
Ana Alcalde-Ordóñez, Natalia Barreiro-Piñeiro, Bríonna McGorman, Jacobo Gómez-González, David Bouzada, Francisco Rivadulla, M. Eugenio Vázquez, Andrew Kellett, José Martínez-Costas, Miguel Vázquez López
DOI: 10.1039/D3SC03303A
A general approach to stereospecific Pd-catalyzed cross-coupling reactions of benzylic stereocenters
DOI: 10.1039/D3SC04519F
Photoinduced cerium-catalyzed C–H acylation of unactivated alkanes
Jing Cao, Joshua L. Zhu, Karl A. Scheidt
DOI: 10.1039/D3SC05162E
A single phosphorylation mechanism in early metabolism – the case of phosphoenolpyruvate
Joris Zimmermann, Robert J. Mayer
DOI: 10.1039/D3SC04116F
Convergent synthesis of thiodiazole dioxides from simple ketones and amines through an unusual nitrogen-migration mechanism
Kunlayanee Punjajom, Paul P. Sinclair, Ishika Saha, Mark Seierstad, Michael K. Ameriks, Pablo García-Reynaga, Terry P. Lebold, Richmond Sarpong
DOI: 10.1039/D3SC04478E
You might also like
What precautions should be taken when handling 4-(2-Furylmethyl)thiomorpholine 1,1-dioxide (CAS: 79206-94-3)?
When handling 4-(2-Furylmethyl)thiomorpholine 1,1-dioxide (CAS: 79206-94-3), it ...
What precautions should be taken when handling 4-Chloro-N-[2-(4-morpholinyl)ethyl]benzamide (CAS: 71320-77-9)?
When handling 4-Chloro-N-[2-(4-morpholinyl)ethyl]benzamide (CAS: 71320-77-9), it...
How should waste containing 2-[2-(2-Methoxyethoxy)ethoxy]ethyl 4-methylbenzenesulfonate (CAS: 62921-74-8) be handled?
Waste containing this compound (CAS: 62921-74-8) should be handled according to ...
How should waste containing (S)-Methyl 2-amino-3-cyclohexylpropanoate be handled?
Waste containing (S)-Methyl 2-amino-3-cyclohexylpropanoate should be collected i...
How is 5-({4-[(2S,4R)-4-Hydroxy-2-methyltetrahydro-2H-pyran-4-yl]-2-thienyl}sulfanyl)-1-methyl-1,3-dihydro-2H-indol-2-one (CAS: 166882-70-8) typically synthesized?
This compound can be synthesized using a multi-step process involving the conjug...
Are there alternatives to (2E)-3-(3,4-Dichlorophenyl)acrylic acid (CAS: 7312-27-8) in synthesis?
There are several alternatives to (2E)-3-(3,4-Dichlorophenyl)acrylic acid in syn...
How should Ethyl 6-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate (CAS: 925437-84-9) be stored?
Ethyl 6-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate (CAS: 925437-84...
How should waste containing 2-(1,3-Thiazol-2-yl)ethanamine (CAS: 18453-07-1) be handled?
Waste containing 2-(1,3-Thiazol-2-yl)ethanamine (CAS: 18453-07-1) should be coll...
How is Methyl 5-iodo-2-methylbenzoate (CAS: 103440-54-6) typically synthesized?
Methyl 5-iodo-2-methylbenzoate can be synthesized through the iodination of meth...
How is 5-Chloro[1,2,4]triazolo[1,5-a]pyridine (CAS: 1427399-34-5) typically synthesized?
5-Chloro[1,2,4]triazolo[1,5-a]pyridine is commonly synthesized via the condensat...
Source Journal
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.














![tert-Butyl N-[(2-chloropyridin-4-yl)methyl]carbamate structure tert-Butyl N-[(2-chloropyridin-4-yl)methyl]carbamate structure](https://static.chemtradehub.com/structs/916/916210-27-0-9f95.webp)