Modelling of the alkyl environment effects on the 13C chemical shiftWiley - Tập 14 Số 4 - Trang 264-271 - 1980
Jacques-Émile Dubois, Michel Carabédian
AbstractUsing a topological parameter, λR, to characterize the effects of a
variable mono or polyalkyl environment, R, on widely varied types of 13C sites
gives rise to a homogeneous description of their chemical shifts over the entire
range of δ13C variation (220 ppm/TMS). The proposed model, δ13C=ωcλR+ηc
expresses the chemical shift in terms of this parameter together with the
sensitivity, ωc, o... hiện toàn bộ
1H and 13C NMR study of 8‐hydroxyquinoline and some of its 5‐substituted analoguesWiley - Tập 15 Số 3 - Trang 280-284 - 1981
J. Kidrič, D. Hadži, Darko Kocjan, V. Rutar
Abstract1H and 13C NMR spectra of 8‐hydroxyquinoline (oxine) and its 5‐Me, 5‐F,
5‐Cl, 5‐Br and 5‐NO2 derivatives have been studied in DMSO‐d6 solution. The 1H
and 13C chemical shifts and proton–proton, proton–fluorine, carbon–proton and
carbon–fluorine coupling constants have been determined. The 1H and 13C chemical
shifts have been correlated with the charge densities on the hydrogen and carbon
a... hiện toàn bộ
The 1H, 13C and 31P NMR spectra of EZ pairs of some phosphorus substituted alkenesWiley - Tập 15 Số 1 - Trang 37-42 - 1981
Mark W. Duncan, Michael J. Gallagher
AbstractThe olefins Ph2P(X)CHCHR [X=lone pair, O, S, Ch3I; RCh3, ph, P(X)ph2]
have been prepared and their 1H, 13C and 31P NMR spectra measured. trans
3J[P(IV)C] (range 18.3–25.7 Hz) is greater than cis 3J[P(IV)C] (range 6.9–11 Hz)
but this relationship does not hold for P(III) compounds. In the 31P spectra the
E isomer absorbs to higher field than the Z isomer for P(III) and P(IV)
compounds. Th... hiện toàn bộ
13C NMR spectra of 8‐aryl‐8‐azabicyclo[3.2.1]oct‐3‐en‐2‐ones and related compoundsWiley - Tập 12 Số 6 - Trang 357-361 - 1979
Alan R. Katritzky, N. DENNIS, Gebran J. Sabongi
AbstractCarbon‐13 NMR spectra of various
8‐aryl‐8‐azabicyclo[3.2.1]oct‐3‐en‐2‐ones and other related compounds, including
tropinone, were determined, and the predominant conformation at the bridgehead
nitrogen was established. The full assignment of resonances from proton
decoupled and coupled spectra was based on the analysis of the splitting pattern
and characteristic chemical shifts. The use of... hiện toàn bộ
Conformational analysis of the tropane analogue of pethidine and related compounds by 1H NMR spectroscopyWiley - Tập 6 Số 8 - Trang 441-444 - 1974
A. F. Casy, James E. Coates
AbstractThe preferred solute conformation of ethyl
3α‐phenyltropane‐3β‐carboxylate hydrochloride, the tropane analogue of
pethidine, is shown to be a piperidine chair with an axial 3‐phenyl substituent
by analysis of its 1H NMR characteristics and spectral comparisons with model
compounds. Conformational studies of synthetic intermediates are also reported
and favoured boat forms identified for 3α... hiện toàn bộ
Détermination des Axes Propres et des Valeurs Principales du Tenseur ḡ dans deux Radicaux Libres Nitroxydes par Étude de MonocristauxWiley - Tập 5 Số 1 - Trang 47-52 - 1973
D. Bordeaux, J. Lajzérowicz-Bonneteau, R. Briere, H. Lemaire, A. Rassat
AbstractLa structure de la phase basse température du radical nitroxyde
tétraméthyl‐2,2,6,6 pipéridine oxyle‐1 (Tanane) a été déterminée. Ce radical
libre est isomorphe du tétraméthyl‐2,2,6,6 pipéridinol‐4 oxyle‐1 (Tanol). Une
étude en résonance paramagnétique électronique de monocristaux a permis de
déterminer les valeurs principales et l'orientation des axes propres du tenseur
ḡ pour ces deux ra... hiện toàn bộ
Synthesis, 1H NMR spectral properties and conformational preferences of some open‐chain and cyclic aromatic sulphides containing pyridine or 1,3,4‐thiadiazole unitsWiley - Tập 16 Số 1 - Trang 1-6 - 1981
Francesco A. Bottino, Sebastiano Pappalardo
AbstractThe conformational preferences in solution of eight new open‐chain and
cyclic aromatic sulphides containing pyridine or 1,3,4‐thiadiazole units have
been investigated, parallel to those of some structurally related phenyl
sulphides, by means of 1H NMR spectroscopy. The results obtained have shown that
replacement of phenyl by the pyridyl or the 1,3,4‐thiadiazolyl moieties induces
slightly ... hiện toàn bộ
Automatic assignment of 13C NMR spectra based on the chemical shift/charge density relationshipWiley - Tập 16 Số 4 - Trang 296-303 - 1981
Ivan P. Bangov
AbstractAn approach for the automatic assignment of 13C spectra, based on the
chemical shift/charge density relationship, is suggested. All permutations of
spectral signals are computer‐generated, and for every permutation a least
squares adjustment is carried out. The permutation presenting the highest
correlation coefficient, or the lowest Hamilton's agreement factor, is
considered to be correct... hiện toàn bộ