Computational study of aromaticity, 1H NMR spectra and intermolecular interactions of twisted thia-norhexaphyrin and its multiply annulated polypyrrolic derivatives

Gleb V. Baryshnikov; Rashid R. Valiev; Qizhao Li; Chengjie Li; Yongshu Xie; Hans Ågren

doi:10.1039/c9cp04819g

Computational study of aromaticity, 1H NMR spectra and intermolecular interactions of twisted thia-norhexaphyrin and its multiply annulated polypyrrolic derivatives

Physical Chemistry Chemical Physics ◽

10.1039/c9cp04819g ◽

2019 ◽

Vol 21 (45) ◽

pp. 25334-25343 ◽

Cited By ~ 3

Author(s):

Gleb V. Baryshnikov ◽

Rashid R. Valiev ◽

Qizhao Li ◽

Chengjie Li ◽

Yongshu Xie ◽

...

Keyword(s):

Intermolecular Interactions ◽

1H Nmr ◽

Nmr Spectra ◽

Computational Study ◽

1H Nmr Spectra

The recently synthesized twisted thia-norhexaphyrin and its multiply annulated polypyrrolic derivatives have been studied computationally.

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Study on intermolecular interactions in liquid acetonitrile — propan-1-ol mixtures by means of measuring their 1H-NMR spectra and analysis of their physicochemical properties

Journal of Molecular Liquids ◽

10.1016/s0167-7322(00)00133-1 ◽

2000 ◽

Vol 88 (1) ◽

pp. 1-13 ◽

Cited By ~ 8

Author(s):

Cezary M. Kinart ◽

Wojciech J. Kinart ◽

Andrzej Kolasiński ◽

Aneta Ćwiklińska ◽

Tomasz Dzikowski

Keyword(s):

Physicochemical Properties ◽

Intermolecular Interactions ◽

1H Nmr ◽

Nmr Spectra ◽

1H Nmr Spectra

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Faculty Opinions recommendation of Factors affecting the robustness of metabolite fingerprinting using 1H NMR spectra.

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

10.3410/f.1019607.224426 ◽

2004 ◽

Author(s):

Oliver Fiehn

Keyword(s):

1H Nmr ◽

Nmr Spectra ◽

1H Nmr Spectra ◽

Metabolite Fingerprinting ◽

Factors Affecting

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1H-NMR spectra of high-boiling adamantylaromatic compounds

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19780250 ◽

1978 ◽

Vol 43 (1) ◽

pp. 250-256

Author(s):

Jaroslava Podehradská ◽

Milan Hájek ◽

Slavoj Hála

Keyword(s):

1H Nmr ◽

Nmr Spectra ◽

1H Nmr Spectra

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13C and 1H NMR Spectra of Synthetic (25R)-5α-Spirostanes

Journal of Chemical Research ◽

10.1177/174751989902300130 ◽

1999 ◽

Vol 23 (1) ◽

pp. 48-49

Author(s):

Martín A. Iglesias Arteaga ◽

Carlos S. Pérez Martinez ◽

Roxana Pérez Gil ◽

Francisco Coll Manchado

Keyword(s):

1H Nmr ◽

Nmr Spectra ◽

Chemical Shifts ◽

1H Nmr Spectra ◽

H Nmr ◽

C 23 ◽

Main Effects ◽

Nmr Signals

The assignment of 13C and 1H NMR signals of synthetic (25 R)-5α-spirostanes is presented; the main effects on chemical shifts due to substitution at C-23 are briefly discussed.

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Metabolic Profiling of 1H NMR Spectra in Chronic Kidney Disease with Local Predictive Modeling

2015 IEEE 14th International Conference on Machine Learning and Applications (ICMLA) ◽

10.1109/icmla.2015.155 ◽

2015 ◽

Cited By ~ 4

Author(s):

M.M. Luck ◽

A. Yartseva ◽

G. Bertho ◽

E. Thervet ◽

P. Beaune ◽

...

Keyword(s):

Chronic Kidney Disease ◽

Kidney Disease ◽

1H Nmr ◽

Predictive Modeling ◽

Metabolic Profiling ◽

Nmr Spectra ◽

1H Nmr Spectra

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The effects of morphology on 1H NMR spectra and relaxation in semicrystalline polyolefins

Journal of Polymer Science Polymer Physics Edition ◽

10.1002/pol.1984.180220405 ◽

1984 ◽

Vol 22 (4) ◽

pp. 589-616 ◽

Cited By ~ 70

Author(s):

K. J. Packer ◽

J. M. Pope ◽

R. R. Yeung ◽

M. E. A. Cudby

Keyword(s):

1H Nmr ◽

Nmr Spectra ◽

1H Nmr Spectra

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Stabilization and destabilization of zirconium propoxide precursors by acetylacetoneElectronic supplementary information (ESI) available: summary of 1H NMR spectra and CIF files for compounds 1 and 2. See http://www.rsc.org/suppdata/cc/b4/b406012a/

Chemical Communications ◽

10.1039/b406012a ◽

2004 ◽

pp. 1874 ◽

Cited By ~ 34

Author(s):

Gerald I. Spijksma ◽

Henny J. M. Bouwmeester ◽

Dave H. A. Blank ◽

Vadim G. Kessler

Keyword(s):

1H Nmr ◽

Nmr Spectra ◽

1H Nmr Spectra ◽

Supplementary Information ◽

Zirconium Propoxide

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Identification of Edible Oils by Principal Component Analysis of 1H NMR Spectra

Journal of Chemical Education ◽

10.1021/acs.jchemed.7b00012 ◽

2017 ◽

Vol 94 (9) ◽

pp. 1377-1382 ◽

Cited By ~ 13

Author(s):

Shauna L. Anderson ◽

David Rovnyak ◽

Timothy G. Strein

Keyword(s):

Principal Component Analysis ◽

1H Nmr ◽

Nmr Spectra ◽

Edible Oils ◽

Principal Component ◽

Component Analysis ◽

1H Nmr Spectra

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ChemInform Abstract: Comparison of Variable-Temperature 1H NMR Spectra of Five-Coordinate High-Spin (S = 5/2) Iron(III) Porphyrins and Chlorins

ChemInform ◽

10.1002/chin.198836050 ◽

1988 ◽

Vol 19 (36) ◽

Author(s):

M. J. PAWLIK ◽

P. K. MILLER ◽

E. P. JUN. SULLIVAN ◽

M. A. LEVSTIK ◽

D. A. ALMOND ◽

...

Keyword(s):

1H Nmr ◽

High Spin ◽

Nmr Spectra ◽

Variable Temperature ◽

1H Nmr Spectra

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1H NMR spectra and the structure of the products of reaction betweentrans-1-N-alkylaminotetralin-2-ols,trans-3-N-alkylaminotetralin-2-ols and formaldehyde

Magnetic Resonance in Chemistry ◽

10.1002/mrc.1260240912 ◽

1986 ◽

Vol 24 (9) ◽

pp. 798-802 ◽

Cited By ~ 1

Author(s):

Trevor A. Crabb ◽

Paul Robinson

Keyword(s):

1H Nmr ◽

Nmr Spectra ◽

1H Nmr Spectra ◽

Products Of Reaction

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