Applications of 14N NMR Data in the Study of Inorganic Molecules

AbstractOptically induced electron spin resonance (LESR) studies on time scales in between the previously published PL and LESR results (approximately 10 ms to 10 s) allow one to examine the cross over between energy-loss (downward) hopping of carriers and carrier recombination via tunneling. In addition, data in this time regime are directly compared in the same sample with NMR data on the dipolar spin-lattice relaxation of the bonded hydrogen where light induced electrons and holes are responsible for dipolar relaxation of bonded hydrogen. The LESR results confirm the interpretation of the NMR measurements.

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Tele-Substitution Reactions in the Synthesis of a Promising Class of Antimalarials

10.26434/chemrxiv.12212927 ◽

2020 ◽

Author(s):

Marat Korsik ◽

Edwin Tse ◽

David Smith ◽

William Lewis ◽

Peter J. Rutledge ◽

...

Keyword(s):

Heterocyclic Ring ◽

Ring System ◽

Substitution Reactions ◽

Laboratory Notebook ◽

Polar Solvents ◽

X Ray ◽

X Ray Crystallography ◽

The Core ◽

Nmr Data

We have discovered and studied a telesubstitution reaction in a biologically important heterocyclic ring system. Conditions that favour the tele-substitution pathway were identified: the use of increased equivalents of the nucleophile or decreased equivalents of base, or the use of softer nucleophiles, less polar solvents and larger halogens on the electrophile. Using results from X-ray crystallography and isotope labelling experiments a mechanism for this unusual transformation is proposed. We focused on this triazolopyrazine as it is the core structure of the in vivo active anti-plasmodium compounds of Series 4 of the Open Source Malaria consortium. Archive of the electronic laboratory notebook with the description of all conducted experiments and raw NMR data could be accessed via following link <a href="https://ses.library.usyd.edu.au/handle/2123/21890">https://ses.library.usyd.edu.au/handle/2123/21890</a> . For navigation between entries of laboratory notebook please use file "Strings for compounds in the article.pdf" that works as a reference between article codes and notebook codes, also this file contain SMILES for these compounds.

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Ionic mobility in Pb0.9M0.1F2.1 (M = Bi, In) and Pb0.9Bi0.05In0.05F2.1 solid solutions with the fluorite-type structure according NMR data

Журнал структурной химии ◽

10.26902/jsc20180708 ◽

2018 ◽

Vol 59 (7) ◽

Keyword(s):

Solid Solutions ◽

Ionic Mobility ◽

Type Structure ◽

Nmr Data ◽

Fluorite Type

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Faculty Opinions recommendation of Rapid protein fold determination using unassigned NMR data.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.1016716.793515053 ◽

2018 ◽

Author(s):

Robert Powers ◽

Tessa Andrews

Keyword(s):

Protein Fold ◽

Nmr Data

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Unexpected Keto-enol Tautomerism in the Cyclopyridinophane Class Direct and indirect proofs

Revista de Chimie ◽

10.37358/rc.08.10.1973 ◽

2008 ◽

Vol 59 (10) ◽

Author(s):

Paul Ionut Dron ◽

Neculai Doru Miron ◽

Gheorghe Surpateanu

Keyword(s):

Nmr Spectroscopy ◽

1H Nmr ◽

Stable Conformer ◽

Ph Measurements ◽

Theoretical Methods ◽

Nmr Data ◽

Tautomeric Forms ◽

New Compounds

The paper presents the synthesis of cyclo (bis-paraquat p-phenylene p-phenylene-carbonyl) tetrakis (hexafluorophosphate), named �CETOBOX�, and the closely related structural determinations. This compound exists in three tautomeric forms. These forms were evidentiated by NMR-data (1H-NMR, TOCSY, COSY, NOESY), UV-Vis spectra coupled with pH measurements and by synthesis. As the �CETOBOX� gives �in situ� only the corresponding monoylide, the synthesis of a new fluorescent indolizine cyclophane has been performed by a 3+2 cycloaddition. All structures of the new compounds presented herein have been established by NMR spectroscopy. Also, theoretical methods (MM3, AM1, AM1-COSMO and B88LYPDFT) have been used to determine the most stable conformer structures.

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