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1. |
Coordination‐site exchange and solid‐state13C NMR studies of bis(oxalato)dioxovanadate(V) ion |
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Magnetic Resonance in Chemistry,
Volume 29,
Issue 9,
1991,
Page 865-869
Man‐Ho Lee,
Kjeld Schaumburg,
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摘要:
AbstractActivation parameters were determined for the exchange between the two types of carboxylate groups which arecisandtransto the VO bonds in the bis(oxalato)dioxovanadate(V) ion, [VO2(C2O4)2]3−. Kinetic data were obtained from the13C NMR spectra at eleven temperatures between 268 and 306 K by the total line‐shape method. The coordination‐site exchange mechanism, involving chelate ring opening and closing in the ion, is proposed. The solid‐state13C NMR spectra of the oxalato complexes, (NH4)3[VO2(C2O4)2]·2H2O and K3[VO2(C2O4)2]·3H2O, are also discussed in relation to the
ISSN:0749-1581
DOI:10.1002/mrc.1260290902
出版商:John Wiley&Sons, Ltd.
年代:1991
数据来源: WILEY
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2. |
NMR and conformational studies of the cyclobutane ring involved in the bicyclo [4.2.0]octane system of a tetracyclic diterpene structure |
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Magnetic Resonance in Chemistry,
Volume 29,
Issue 9,
1991,
Page 870-877
Duc Do Khac Manh,
Marcel Fetizon,
Chantal Prévost,
Pierre Roy,
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摘要:
AbstractConformational studies were performed on the bicyclo [4.2.0] octane system of a series of related tetracyclic diterpenes, using molecular mechanics and1H NMR. Both methods gave compatible results, but did not permit the deduction of any quantitative relationship linking the vicinal coupling constants to the cyclobutane dihedral angles. Nevertheless, the Karplus relationship allowed a qualitative interpretation of the coupling constants in terms of conformation. A set of characteristic1H NMR coupling constants was obtained which allows the interpretation of the1H NMR spectrum of any compound presenting a similar system.
ISSN:0749-1581
DOI:10.1002/mrc.1260290903
出版商:John Wiley&Sons, Ltd.
年代:1991
数据来源: WILEY
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3. |
1H,13C and17O NMR study of substituted nitropyridines |
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Magnetic Resonance in Chemistry,
Volume 29,
Issue 9,
1991,
Page 878-884
Erkki Kolehmainen,
Katri Laihia,
Danuta Rasala,
Ryszard Gawinecki,
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摘要:
Abstract1H,13C and17O NMR spectra for 22 substituted nitropyridines were measured and their1H NMR spectra were analysed. The most significant variations in the NMR parameters are found for isomeric hydroxy derivatives, owing to the possibility of keto–enol tautomerism. The prevalence of the keto form is observed in 2‐ and 4‐hydroxy derivatives, while the 3‐hydroxy derivative exists in its enol form. Among the three nuclei studied,17O seems to be the best nucleus for probing the keto–enol tautomerism. No correlation is observed between the torsion angle of the nitro group and its17O NMR chemical shift. Molecular mechanics calculations were performed to clarify the torsional energetics of the nitro group and the preferences for keto–enol
ISSN:0749-1581
DOI:10.1002/mrc.1260290904
出版商:John Wiley&Sons, Ltd.
年代:1991
数据来源: WILEY
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4. |
Structure and conformation of the hypermodified purine nucleoside wyosine and its isomers: A comparison of coupling constants and distance geometry solutions |
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Magnetic Resonance in Chemistry,
Volume 29,
Issue 9,
1991,
Page 885-892
Hanna Sierzputowska‐Gracz,
R. H. Guenther,
P. F. Agris,
W. Folkman,
B. Golankiewicz,
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摘要:
AbstractThe structural determination of modified mononucleosides is important for understanding the chemistry, structure and functional changes that they impart to the nucleic acids in which they occur. Empirical analyses ofJ(HH)couplings have been used to describe nucleoside conformational equilibria for the glycosidic angle (syn‐anti), the C‐4′C‐5′ exocyclic rotamers (gauche+,gauche− andtrans) and the sugar pucker (N–S). Distance geometry calculations with distance constraints determined from nuclear Overhauser effects (NOE) should provide equally satisfactory structural information. Proton and carbon chemical shifts and coupling constants were used to describe structural parameters for the tricyclic nucleosides wyosine, 4,9‐dihydro‐4,6‐dimethyl‐9‐oxo‐3‐(β‐D‐ribofuranosyl)imidazo(1,2‐a)purine, and three of its isomers. Using distance geometry calculations with the 14‐19 observed NOEs per nucleoside as distance constraints, multiple structures could be produced with less than 1 Å relative mean standard deviation for the positioning of all atoms. The two methods of structural determination were consistent in their qualitative determination
ISSN:0749-1581
DOI:10.1002/mrc.1260290905
出版商:John Wiley&Sons, Ltd.
年代:1991
数据来源: WILEY
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5. |
1H and13C NMR study of 1‐substituted isatins and their corresponding 3‐(dicyanomethylidene)indol‐2‐ones |
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Magnetic Resonance in Chemistry,
Volume 29,
Issue 9,
1991,
Page 893-896
Martha S. Morales‐Ríos,
Pedro Joseph‐Nathan,
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摘要:
AbstractThe assignments of the1H and13C NMR signals of 1‐substituted isatins and their corresponding 3‐(dicyanomethylidene)indol‐2‐ones were derived by analysis of the13C1H spin coupling patterns and by inspection of the two‐dimensional C, H shift correlation spectra. Erroneous literature assignments have been corrected. A significant difference between the5Δ‐deuterium isotope effects on the13C chemical shifts of the CN groupscisandtransto the heterocyclic amide fragment (D)HNCO was observed in partially deuteriated 3‐(dicyanomethylidene)indol‐2‐one. This geometric dependence was used to assign the two CN groups that are otherwi
ISSN:0749-1581
DOI:10.1002/mrc.1260290906
出版商:John Wiley&Sons, Ltd.
年代:1991
数据来源: WILEY
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6. |
NMR of terminal oxygen. 6—17O NMR of the SO ‘double bond’: Derivatives of arylsulphinic and arylsulphonic acids |
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Magnetic Resonance in Chemistry,
Volume 29,
Issue 9,
1991,
Page 897-903
Hans Dahn,
Vien Van Toan,
My‐Ngoc Ung‐Truong,
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摘要:
AbstractThe17O NMR spectra of terminal oxygen atoms in esters, anions and amides of substituted arenesulphinic acids and in esters and amides of substituted arenesulphonic acids were measured. The signals of the terminal O appear close to those of the bridge O. Compared with carbonyl O, terminal SO shows (a) a lower sensitivity to the electronic influences of geminal groups, (b) only a low sensitivity to arene ring substituents and (c) small solvent effects. The difference between C‐ and S‐bound O is discussed in terms of π‐bond character. Dy3+complexation occurs with the terminal O in methyl arenesul
ISSN:0749-1581
DOI:10.1002/mrc.1260290907
出版商:John Wiley&Sons, Ltd.
年代:1991
数据来源: WILEY
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7. |
Influence ofgaucheinteractions on the substituent effects on carbon‐13 chemical shifts in six‐membered ring compounds |
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Magnetic Resonance in Chemistry,
Volume 29,
Issue 9,
1991,
Page 904-911
K. Pandia Rajan,
A. Manimekalai,
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摘要:
Abstract13C NMR spectra of six epimeric substituted 4‐hydroxypiperidines and two corresponding piperidines were recorded. Substituent parameters for equatorial methyl,gem‐dimethyl, equatorial hydroxy and axial hydroxy groups were calculated from the13C chemical shifts of these compounds and several other six‐membered ring compounds. The effects of nearby substituents on these parameters were examined. It is concluded that the magnitude and even the sign of the α effect is modified by the presence of nearby substituents. It was found thatgaucheinteractions play an important role in determining the magnitude of the α effect. However, the β effect is not influenced by the nearby substituents except for thegem‐dimethyl group. The magnitude of the γ effect is almost independent of the nearby s
ISSN:0749-1581
DOI:10.1002/mrc.1260290908
出版商:John Wiley&Sons, Ltd.
年代:1991
数据来源: WILEY
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8. |
Measurement of one‐bond proton‐carbon coupling constants of saccharides |
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Magnetic Resonance in Chemistry,
Volume 29,
Issue 9,
1991,
Page 912-922
Stanislava Uhrínova,
Dušan Uhrían,
Tibor Liptaj,
Juraj Bella,
Ján Hirsch,
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摘要:
AbstractSeveral NMR experiments, one proton and several carbon detected, were used for the determination of1J(C,H) values in saccharides. Couplings of anomeric carbons were measured from the13C satellites in1H NMR spectra. The simultaneous application of several purging schemes resulted in a very good suppression of the proton signals from12C molecules.1J(C,H) values of all saccharides were determined by 2DJ‐resolved spectroscopy using an INEPT‐type pulse sequence with a BIRD pulse for the suppression ofnJ(C,H) and folding in F1. Rules for the calculation of the correct values of1J(C,H) from the observed reduced splittings are proposed.1J(C,H) values were also obtained from a set ofJ‐modulated one‐dimensional13C spectra. A procedure for the determination of1J(C,H) values from only two one‐dimensional experiments is proposed. Mannose derivatives (mono‐ and poly‐saccharides) were used to test and compare the individual methods. Differences in1J(C,H) values for C‐2 and C‐3 were used for the chemical shift assignment
ISSN:0749-1581
DOI:10.1002/mrc.1260290909
出版商:John Wiley&Sons, Ltd.
年代:1991
数据来源: WILEY
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9. |
Inclusion complexes between β‐cyclodextrin and β‐benzyloxy‐α‐propionic derivatives of paramagnetic DOTA‐ and DPTA‐Gd(III) complexes |
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Magnetic Resonance in Chemistry,
Volume 29,
Issue 9,
1991,
Page 923-927
Silvio Aime,
Mauro Botta,
Maurizio Panero,
Maurizio Grandi,
Fulvio Uggeri,
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摘要:
AbstractThe addition of β‐cyclodextrin to a solution containing β‐benzyloxy‐α‐propionic‐substituted DOTA‐ and DTPA‐Gd(III) complexes leads to the formation of inclusion compounds whose equilibrium constants have been determined by NMR titrations. The main effect associated with the formation of this ‘host‐uest’ interaction is a marked elongation of the molecular reorientational time, τr, which in turn results in increased solvent
ISSN:0749-1581
DOI:10.1002/mrc.1260290910
出版商:John Wiley&Sons, Ltd.
年代:1991
数据来源: WILEY
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10. |
Synthesis and steric structure ofcis‐ andtrans‐alicycle‐fused dihydrothiazepines |
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Magnetic Resonance in Chemistry,
Volume 29,
Issue 9,
1991,
Page 928-932
P. Sohár,
K. Újszászy,
J. Szabó,
L. Simon,
G. S. Talpas,
L. Fodor,
G. Bernáth,
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摘要:
Abstractβ‐Lactam‐condensed saturated thiaazabicycles underwent ring transformation to give a new type of alicycle‐fused 3‐phenyl‐2‐methoxycarbonyl‐4,5‐dihydro‐1,4‐thiazepine. Oxidation of thecisandtranscyclohexane derivatives with perbenzoic acid furnished sulphones. The configurations and conformations of the new compounds were confirmed by1H and13C NMR spectroscopy, making use of DR, DNOE, DEPT and
ISSN:0749-1581
DOI:10.1002/mrc.1260290911
出版商:John Wiley&Sons, Ltd.
年代:1991
数据来源: WILEY
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