bluuebunny/crossref_metadata_2025_split huggingface dataset:
Etude en Résonance Magnétique Nucléaire et Stéréochimie d'un Composé Cyclopropanique d'Intérět Thérapeutique. Résonance du Proton à 250 MHz avec Triple Irradiation
Authors: Gey C. , Perraud R. , Pierre J. L. , Cousse H. , D'Hinterland L. Dussourd , Mouzin G. 
Published: May 2005

AbstractLe pivaloyl‐1 hydroxyméthyl‐2 cyclopropane est étudié en résonance magnétique nucléaire. La configuration relative au niveau C‐1—C‐2 est établie à partir de l'analyse du spectre de résonance du proton à 250 MHz, analyse qui nécessite des expériences de triple irradiation. La conformation autour de la liaison cycle‐carbonyle est examinée à partir de l'effet de solvant ASIS. La conformation autour de la liaison cycle‐hydroxyméthyle est étudiée à partir de l'effet de température sur les constantes de couplage vicinales. La conformation de l'hydroxyle est abordée (dans CCl4) à partir de J(HOCH). La conformation globale du composé peut ětre décrite.
Etude du Groupe Azomethine par RMN du Carbone‐13. Cétimines et Dibenzo[b, f] diazocines[1,4]
Authors: Ruxer J. M. , Solladié‐Cavallo A. , Solladié G. , Olliero D. 
Published: May 2005

AbstractL'étude des déplacements chimiques 13C (effets de substituants, variation du blindage ou du déblindage dǔ à l'intervention d'interactions n.π ou π.π) confirme la structure non plane des cétimines diàromatiques étudiées et permet d'évaluer les angles de torsion des cycles aromatiques hors du plan de la double liaison CN. L'étude des déplacements chimiques 13C de dibenzo[b,f] diazocines‐1,4 confirme la structure ‘tub’ et la présence d'interactions n.π et π.π.
Zur Anwendung von NMR‐Verschiebungsreagenzien: Die Komplexbildungskonstante als Strukturparameter
Authors: Große M. , Roth K. , Rewicki D. 
Published: May 2005

AbstractDie Struktur eines Tetra‐tert‐butyfluoren‐9‐ols wird mit Hilfe der Komplexbildungskonstanten tert‐Butyl‐substituierter Fluorenole bekannter Struktur mit Eu(fod)3, ermittelt.
La Vitamine B6 et ses Dérivés. I—Attribution des Spectres de Résonance 13C du Pyridoxol, du Pyridoxal et du Phosphate de Pyridoxal. Etude de la Protonation
Authors: Haran R. , Nepveu‐Juras F. , Laurent J.‐P. 
Published: May 2005

AbstractL'existence de deux sites de protonation dans les molécules de pyridoxol et de pyridoxal se traduit au niveau de la résonance de chaque noyau 13C par des effects caractéristiques dont la résultante acquiert ainsi un caractère spécifique. L'analyse de ces effects permet de confirmer les attributions proposées par ailleurs et d'établir la nature des formes intervenant à chaque valeur du pH dans la structure de ces molécules. Il apparaǐt, en particulier, qu'aux pH voisins de 7, le pyridoxol et le pyridoxal existent essentiellement sous une forme zwitterionique, le pyridoxal étant par ailleurs sous une forme de type hémi‐acétal.
Conformational study of diastereomers. V—assignment of RR and RS relative configurations to 2,2,6,6‐tetramethyl‐5‐phenyl‐3‐heptanol by proton n.m.r.
Authors: Ibarra C. Alvarez , Perez M. S. Arias , Gonzalez F. Fernandez , Sarompas M. Rico 
Published: May 2005

AbstractAssignment of RR and RS configurations to 2,2,6,6‐tetramethyl‐5‐phenyl‐3‐heptanol diastereomers has been carried out through an analysis of the observed values for vicinal coupling constants of both isomers and their conformational distribution. The latter was previously estimated from steric interaction energies between groups. Since the RR isomer is monoconformational its magnetic parameters can be used to carry out conformational analysis of related acyclic compounds.
1H and 13C n.m.r. spectra of dichloro(trans‐2‐chlorovinyl)arsine
Authors: Paasivirta Jaakko , Versterinen Raili , Virkki Liisa , Pyykkö Pekka 
Published: May 2005

AbstractProton and carbon magnetic resonance spectra of Lewisite or dichloro(trans‐2‐chlorovinyl)arsine have been measured and the results are compared with the n.m.r. spectral parameters of other trans‐1,2‐substituted ethylenes. The coupling constants can be rationalized by substituent electronegativity. The chemical shifts show an unusually large paramagnetic effect from the AsCl2 group.
An investigation of the utility of using n.m.r. lanthanide shift reagents for 13C assignments in selected aromatic ethers and ketones. A detailed description of the lanthanide induced shift ratio method for lanthanide shift reagent–substrate geometry analysis
Authors: Ammon Herman L. , Mazzocchi Paul H. , Colicelli Elena J. 
Published: May 2005

AbstractThe 13C and 1H spectra of a series of aromatic ketones, ethers and keto‐ethers were studied using the lanthanide shift reagent (LSR) Yb(fod)3 and the data analyzed using the lanthanide induced shift (LIS) ratio method. Studies were carried out on phenalenone, 6‐methoxyphenalenone, 1‐ and 2‐methoxynaphthalene, 1‐indanone, 5‐ and 6‐methoxy‐1‐indanone and flavone and the data obtained subjected to LSR‐substrate geometry analysis as a means of making 13C assignments. The utility and limitations of the LSR method for making 13C assignments is discussed and the LIS ratio method for LSR‐substrate geometry analysis is described in detail.
N.m.r. studies on aromatic compounds. I—13C n.m.r. spectra of some mono‐ and disulpho‐substituted hydroxycarboxylic acids
Authors: Räisänen Kauko , Lajunen Lauri H. J. 
Published: May 2005

AbstractCarbon‐13 n.m.r. spectra of 3‐hydroxy‐4‐sulpho‐2‐naphthoic, 3‐hydroxy‐5‐sulpho‐2‐naphthoic, 3‐hydroxy‐7‐sulpho‐2‐naphthoic, 5‐sulphosalicylic, 3‐hydroxy‐5,7‐disulpho‐2‐naphthoic, 1‐hydroxy‐4,7‐disulpho‐2‐naphthoic, and 3,5‐disulphosalicylic acids were recorded with and without proton noise‐decoupling. Analyses of the spectra were carried out for all compounds except 3‐hydroxy‐5‐sulpho‐2‐naphthoic acid which dimerized. The fine splitting caused by long‐range coupling was used in identifying the lines of the 13C n.m.r. spectra.
Carbon‐13 NMR spectra of a series of para‐substituted N,N‐dimethylbenzamides. Comparisons of linear free energy relationships for carbon‐13 and nitrogen‐15 chemical shifts and rotation barriers
Authors: Jones Ronald G. , Wilkins Joyce M. 
Published: May 2005

AbstractAll carbon‐13 chemical shifts for 11 para‐substituted N,N‐dimethylbenzamides in 1 mole % chloroform solution are reported, with assignments based upon double resonance experiments, analogy to chemical shifts of benzamide, and self‐consistency between experimental and calculated values using recognized substituent parameters. In contrast to earlier reports, the aryl carbon chemical shift assignments for N,N‐dimethylbenzamide are C‐2, 127.0; C‐3, 128.7; C‐4, 129.4, and for p‐chloro‐N,N‐dimethylbenzamide are C‐1, 134.6; C‐4, 135.5 ppm, relative to internal TMS. Good Hammett correlations (σp) are reported for 13C chemical shifts of C‐1 (σ = 11.9 ppm) and even for the carbonyl group (σ = −2.3 ppm) but are markedly improved if correlated with σp+ (σ = 9.5 ppm) and Dewar's F (σ = −1.9 ppm), respectively. Excellent Swain–Lupton F and R correlations were found for some of the 13C chemical shifts and yielded values for percent resonance contributions to transmission of substituent effects as follows, C‐1, 75 ± 4%; C‐2, 51 ± 3%; CO, 31±2%. These are compared to similar values calculated from the CO of benzoic acids of 34±10%, and from the nitrogen‐15 chemical shifts of benzamides of 56±2%. Correlations of these 13C δ values and 15N δ values with rotation barriers (ΔG) for N,N‐dimethylbenzamides were examined, and it was found that while CO δ values correlated only poorly the C‐1 δ values correlated very well, but the best correlation was for 15N δ values of benzamides. It is suggested that Δ G and δ 15N are intrinsically related due to their numerical correlation, and the close similarity in percent resonance contribution of substituent influence on these parameters.
Nuclear magnetic resonance spectroscopy nitrogen‐15—hydrogen coupling constants in oximes
Authors: Oatis John E. , Schultz Harry P. 
Published: May 2005

AbstractNitrogen‐15—hydrogen coupling constants between 15N‐labeled oximes and α‐C‐protons, 3J(15NH), of two series of E/Z ketoximes were studied in CCl4, CDCl3, CF3COOH, and DMSO‐d6. 15N‐substituted‐methyl phenyl ketoximes constituted the first series and 15N‐substituted‐methyl 2‐quinoxalinyl ketoximes the second series studied. Substituents in the first group were H, Me, t‐Bu, NMe2, OMe, Cl, Br and I; in the second they were H, NEt2, and Cl. |3J(15NH)| values for the isomers wherein the aliphatic substituent was anti to the oximino hydroxy group were always larger then those for the syn related isomers, permitting assignment of oxime stereochemistry to even a lone oxime diastereomer. Additionally, geminal nitrogen‐15—hydrogen coupling, 2J(15NH) effects were observed in some compounds.
Bredt's rule. IV—the structure of an alleged bicyclo[3.3.1]nonan‐2‐ol‐9‐one
Authors: Buchanan G. L. 
Published: May 2005

AbstractClaims that the condensation product of (−)‐menthone with benzylideneacetophenone is a bridged bicyclic ketol are shown to be erroneous. The true structure is shown by 13C n.m.r. to be 2‐(1′,3′‐diphenyl‐3′‐oxopropyl)‐3‐methyl‐6‐isopropylcyclohexanone.
RMN 13C d'Alcynes Aliphatiques: Analyse Topologique des Effets de Substituants Alkyles sur les Déplacements Chimiques des Carbones sp par la Méthode DARC PELCO
Authors: Dubois Jacques‐Emile , Doucet Jean‐Pierre 
Published: May 2005

AbstractLes effets de substitution alkyle sur les déplacements chimiques des carbones sp d'alcynes aliphatiques sont analysés par la méthode DARC PELCO estimant les perturbations liées à l'introduction de sites localisés dans l'Environnement Limité, Concentrique, Ordonné des carbones sp, décrit par génération progressive à partir du foyer origine –CC..Une corrélation de site ‘topologie‐δ’ est proposée et son aptitude à la prévision des déplacements chimiques est vérifiée sur une population de 55 alcynes linéaires ou fortement ramifiés correspondant à un domaine expérimental de 25,2 ppm.Cette étude met aussi en éevidence (i) l'indépendance des effets des groupes alkyles portés par la triple liaison; (ii) leur atténuation lorsque croǐt la connectivité des sites substitués; (iii) la faible importance des effets γπ; (iv) l'additivité des incréments de perturbation de site—sans termes d'interaction—jusqu'à une frontière correspondant aux groupes –C(H,Me,tBu) et –C(Me2,tBu).Un modèle simplifié est proposé à partir d'un graphe partiellement ordonné et à des fins de calcul rapide des δ, les effets globaux des radicaux alkyles sont caractérisés et exprimés en paramètres de groupe par sommation de leurs paramétres de site.
NMR studies on some 1,3,5‐triazaadamantane derivatives
Authors: Edwards A. , Webb G. A. 
Published: May 2005

Abstract1H and 13C data are presented for eleven 1,3,5‐triazaadamantane derivatives. Ring protonation produces a decrease in 1H screening and the opposite effect in the corresponding 13C spectrum. The trisaryl substituted compounds appear to exist as a single isomer with diequatorial and monoaxial substituents.
Carbon‐13 NMR spectra of all the isomeric methyl hydroxy‐ and acetoxyoctadecanoates. Determination of chemical shifts by deuterium isotope effects
Authors: Tulloch A. P. 
Published: May 2005

AbstractCarbon‐13 NMR spectra of the 17 isomeric methyl hydroxyoctadecanoates and the corresponding acetate derivatives have been measured and chemical shifts assigned to most carbons. Sixteen specifically deuterated hydroxy esters, and their acetates, were employed to make unambiguous assignments from the deuterium isotope effects on the spectra. When substituents are separated from the ends of the chain by 2–3 methylene groups their effects are largely additive. Long range effects of the hydroxyl group were γ, +0.01; δ, −0.09; ε, −0.11; ζ, −0.06; η, −0.05; and θ, −0.04 ppm, and of the acetate group were γ, −0.20; δ, −0.20; ε, −0.16; ζ, −0.11; η, −0.08 and θ, −0.07 ppm, showing that they extend across seven methylene groups.
Carbon‐13 NMR chemical shifts in some substituted 1,2,4‐triazol‐3‐ones
Authors: Litchman William M. , Hollstein Ulrich , Papadopoulos E. Paul 
Published: May 2005

AbstractCarbon‐13 NMR data for 15 substituted 1,2,4‐triazol‐3‐ones are presented and discussed with regard to enolization in the neutral molecules. The coupling constant and chemical shift data show that the proton at N‐2 is not exchanging rapidly in the DMSO‐d6 solvent. Using D2OOD− as a solvent, it is found that the C‐3 and C‐5 resonances are shifted downfield by nearly the same amount, suggesting that the proton at N‐4 is being removed. Enolization in the neutral molecules does not occur to any significant extent.
Etude par RMN de 29Si de Sila‐1 Cyclopentènes‐2 et ‐3
Authors: Filleux‐Blanchard Marie‐Louise , Nguyen‐Dinh‐An  , Manuel Georges 
Published: May 2005

AbstractLes mesures des déplacements chimiques de 29Si dans les silacyclopentènes vérifient les conclusions obtenues par RMN de 1H et 13C.
13C13C spin–spin coupling constants and 13C isotope effects on 13C chemical shifts in some 4‐membered rings
Authors: Jokisaari Jukka 
Published: May 2005

AbstractThe 13C13C spin–spin coupling constants in natural abundance oxetane, thietane, cyclobutanone, bromo‐and chlorocyclobutane have been measured. Furthermore, the 13C isotope‐induced changes in the chemical shifts of the different 13C nuclei in the molecules mentioned above are reported. These shifts are normally to higher magnetic field; in cyclobutanone, however, the resonance of the carbonyl carbon has shifted to lower field because of the substitution of 13C−3 for 12C−3.
Dynamic proton magnetic resonance studies on complex spin systems. Non‐mutual three‐spin exchange in N‐(trideuteriomethyl)‐2‐cyanoaziridine
Authors: Höfner Dieter , Tamir Ilana , Binsch Gerhard 
Published: May 2005

AbstractAt room temperature and below, the proton NMR spectrum of N‐(trideuteriomethyl)‐2‐cyanoaziridine consists of two superimposed ABC patterns assignable to two N‐invertomers; a single time‐averaged ABC pattern is observed at 158.9°C. The static parameters extracted from the spectra in the temperature range from –40.3 to 23.2°C and from the high‐temperature spectrum permit the calculation of the thermodynamic quantities ΔH0 = −475±20 cal mol−1 (−1.987 ± 0.084 kJ mol−1) and ΔS0 = 0.43±0.08 cal mol−1 K−1 (1.80±0.33 J mol−1 K−1) for the cis ⇌ trans equilibrium. Bandshape analysis of the spectra broadened by non‐mutual three‐spin exchange in the temperature range from 39.4–137.8°C yields the activation parameters ΔHtc≠ = 17.52±0.18 kcal mol−1 (73.30±0.75 kJ mol−1), ΔStc≠ = −2.08±0.50 cal mol−1 K−1 (−8.70±2.09 J mol−1 K−1) and ΔGtc≠ (300 K) = 18.14±0.03 kcal mol−1 (75.90±0.13 kJ mol−1) for the trans → cis isomerization. An attempt is made to rationalize the observed entropy data in terms of the principles of statistical thermodynamics.
Proton‐coupled 13C NMR and {14N}—1H‐INDOR of highly‐substituted 6‐membered heterocycles. I—trisubstituted pyridones and isomeric aminopyrones; tetrasubstituted pyridines
Authors: Cavagna F. , Pietsch H. 
Published: May 2005

AbstractThe structural elucidation by NMR spectroscopy of trisubstituted α‐pyridones and the isomeric 2‐amino‐γ‐pyrones as well as their internal and external pyrylium salts is described. The most useful parameter for the differentiation between α‐pyridones and isomeric γ‐pyrones is the geminal coupling constant 2J(C‐6, H‐5) which changes from ∼2.5 Hz to ∼7 Hz whenever the cyclic amide group is replaced by an oxa‐function; this applies to both the γ‐pyrones and their pyrylium salts. The value of J(C‐6, H‐5) in the pyridones resembles that of the analogous coupling in N‐vinylacetamide, whose sign determination by the selective population inversion (SPI) technique is reported. The 13C chemical shifts of seven pyridones, pyrones and pyrylium salts are reported and their structural correlations are discussed. Quick structural assignments in these classes of compounds may also be performed by evaluating the 14N chemical shifts, which often are accessible by the {14N}—1H‐INDOR technique. The proton coupled 13C NMR spectra of two tetrasubstituted pyridines are also reported, and empirical correlations between long range CH coupling constants and substituent electronegativity are discussed.
An unusual long‐range proton hyperfine coupling in a nitroxyl radical
Authors: Heinig Marsha J. , Eaton Gareth R. , Eaton Sandra S. 
Published: May 2005

AbstractThe EPR spectrum of doxyl cyclododecane (3,3‐dimethyl‐1‐oxa‐4‐azaspiro[4.11] hexadec‐4‐yloxy) exhibits a large (0.195 mT at −39°C) temperature‐dependent proton hyperfine coupling. Selective deuteration demonstrates that the coupling is to one of the protons in the CH2 groups adjacent to the point of attachment of the doxyl ring.
Carbon‐13 NMR studies of substituted naphthalenes. II—rotational barriers and conformations in some naphthaldehydes and azulenaldehydes
Authors: Drakenberg Torbjörn , Sandström Jan , Seita José 
Published: May 2005

AbstractProton‐coupled and noise‐decoupled 13C NMR spectra of 1‐azulenecarbaldehyde, 1‐acetylazulene and 1,3‐azulenedicarbaldehyde have been studied, and complete assignments have been made based on the 13C1H coupling constants, additivity of substituent effects (SIS), and previous assignment for the parent hydrocarbon. The barriers to rotation of the aldehyde group in the above azulenecarbaldehydes and in some naphthaldehydes have been determined by 13C dynamic NMR, (DNMR), resulting in free energies of activation of 42.7, 26.8 and 34.4 kJ mol−1 for 1‐azulenecarbaldehyde, 1‐naphthaldehyde and 2‐naphthaldehyde respectively. The same order of barriers is obtained by CNDO/2 calculations. A 4‐methoxy substituent in 1‐naphthaldehyde and a 6‐methoxy substituent in 2‐naphthaldehyde increases the rotational barrier by 4.6 and 2.9 kJ mol−1, respectively, whereas a 3‐methoxy substituent in 2‐naphthaldehyde reduces the barrier by 6.7 kJ mol−1. The conformations of the dominant rotamers are deduced from 13C chemical shifts to be Z for 1‐azulenecarbaldehyde and 1‐naphthaldehyde, and E for 2‐naphthaldehyde.
Conformational study of phosphothreonine in aqueous solution. H and 13C NMR results
Authors: Pogliani L. , Ziessow D. 
Published: May 2005

AbstractThe 270 MHz 1H and 22.6 MHz 13C NMR spectra of DL‐phosphothreonine in D2O have been measured and analysed as a function of pD. The trans‐trans conformation of the fragment H‐αC‐αC‐βOP predominates at all pD values. The C‐β—O gauche contribution is notably larger for pD values in the range 7≤pD<10 than for acidic or more basic solutions which is in accordance with earlier results for phosphoserine (PSer).
Carbon‐13 NMR spectra of monosulphones and disulphones: Substitution rules and conformational effects
Authors: Fawcett A. H. , Ivin K. J. , Stewart C. D. 
Published: May 2005

AbstractCarbon‐13 NMR spectra have been obtained for 27 aliphatic monosulphones and 13 aliphatic disulphones. Substitution rules have been formulated which allow the prediction of chemical shifts when a CH2 group in a hydrocarbon is replaced by an SO2 group, or when an H atom in a sulphone is replaced by an alkyl group. Carbon atoms β to a sulphone group show a marked upfield shift effect which is sensitive to the conformation about the CS bond; atoms in the trans position experience an upfield shift (−9.39±1.64 ppm) compared with those in the gauche position. An assignment of the meso (m) and racemic (r) β‐carbon peaks in di‐sec‐butyl sulphone was made by synthesis of the optically active compound. |δm–δLr| decreases with increasing temperature for both β–carbon atoms; this effect was interpreted in terms of two available conformers for each of the m and r compounds, those for the m form having the same energy and entropy, and those for the r form having ΔS=0.6 J K−1 mol−1 and ΔH=0.8 kJ mol−1. Observed chemical shifts for the disulphones were compared with those estimated by the application of the first set of substitution rules.
Differentiation between isomeric structures of benzazoles by 14N, 13C and 1H NMR
Authors: Stefaniak Lech 
Published: May 2005

AbstractNitrogen chemical shifts constitute an effective means of distinguishing between isomeric benzazole ring systems. There is a large difference in nitrogen shielding, usually more than 20 ppm, between isomeric benzenoid‐ and quinonoid‐like structures. 13C and 1H NMR is shown to provide unambiguous structure assignment only in cases of symmetric quinonoid ring systems of azoles.
13C‐NMR‐Spektren von Schwefelorganischen Verbindungen mit zwei vicinalen oder geminalen Sulfidgruppen
Authors: Petrova R. G. , Kandror I. I. , Dostovalova V. I. , Churkina T. D. , Freidlina R. Kh. 
Published: May 2005

AbstractEs wurden die 13C‐NMR‐Spektren von 39 vicinalen und geminalen Bis‐sulfiden sowie einigen verwandten Verbindungen gemessen und die Nichtadditivität des Einflusses von zwei naheliegenden Sulfidgruppen auf die chemischen Verschiebungen von benachbarten Kohlenstoffatomen festgestellt. Die chemischen Ver‐schiebungen von 13C in den Bis‐sulfiden wurden mit denen der isostrukturen Kohlenwasserstoffe sowie der sauerstoff‐ und chlorhaltigen Verbindungen verglichen.
An 1H and 13C NMR study of pentane‐2,4‐dione tellurium(II) compounds; chemical shifts, 125Te1H and 125Te13C couplings
Authors: Dewan John C. , Jennings W. Brian , Silver Jack , Tolley Malcolm S. 
Published: May 2005

Abstract1H and 13C NMR data are reported for pentane‐2,4‐dione tellurium(II) compounds which contain a 6‐membered tellurane ring bearing methyl or ethyl substituents. The 125TeCH coupling constants are particularly interesting in that they are highly stereospecific, viz. ∼60 Hz and 0–8 Hz for equatorial and axial protons, respectively, in the chair conformation. 1J(TeC) and 2J(TeCC) couplings lie in the ranges 118–146 Hz and 44–49 Hz, respectively. Geminal HCH couplings in these compounds (9–11 Hz) are lower than analogous values in tellurane or in cyclohexane‐1,3‐diones.
CIDNP‐Effekte bei Photolyse und Thermolyse von substituierten Phenyldiazoniumsalzen
Authors: Sterk H. , Lechner G. 
Published: May 2005

AbstractMit Hilfe des CIDNP‐Effekts wird die Existenz von Radikalpaaren bei der Photolyse und Thermolyse von substituierten Phenyldiazoniumtetrafluoroboraten und Hydrochinon in Azetonitril aufgezeigt. Die Reaktion wird als Einelektronenübergang unter Ausbildung von Phenyldiazen und p‐Benzosemichinon formuliert. Dieses Radikalpaar verliert, entweder durch Photolyse oder Thermolyse, Stickstoff und kann eine Disproportionierung oder verschiedene Rekombinationen eingehen.
Temperature dependence of the carbon‐13 chemical shifts of paraffinic hydrocarbons
Authors: Cheng H. N. , Bovey F. A. 
Published: May 2005

AbstractA study of several linear and branched alkanes indicates that the temperature dependence of 13C chemical shifts is a complex phenomenon in which several non‐additive effects may be operative. The chemical shift temperature coefficients dδ/dT do, however, reveal some systematic trends which could be helpful in the assignments of 13C resonances. An empirical equation is proposed (akin to that of Grant and Paul for 13C chemical shifts) which accurately correlates all the data obtained near ambient temperatures.
Substituent effects on 1H NMR spectra of N,N‐dialkylanilines
Authors: Koleva V. , Galabov B. , Simov D. 
Published: May 2005

AbstractCorrelations with reactivity constants and quantum chemical parameters were used to characterize the substituent effects on the 1H NMR spectra of a series of N,N‐dimethylanilines and N,N‐diethylanilines. The results indicate that the variations of the chemical shifts of the methyl and methylene protons are largely determined by resonance effects.