P.M.R. spectra of heteroaromatic molecules containing bridgehead nitrogen atoms. V. Pyrrolo[a]quinoline

1976 ◽  
Vol 29 (4) ◽  
pp. 847 ◽  
Author(s):  
ML Heffernan ◽  
GM Irvine
Keyword(s):  
Ambient Temperature ◽  
Spin System ◽  
Variable Temperature ◽  
Membered Ring ◽  
Coupling Constants ◽  
Ring Proton ◽  
Temperature Study ◽  
Proton Resonances ◽  
Cdcl3 Solution ◽  
Bridgehead Nitrogen

The p.m.r. spectra of (CD3)2SO and CDCl3 solutions of pyrrolo[a]quinoline, a nine-spin system, have been analysed. In the former case, the various multiplets were sufficiently non-overlapping for detailed double-irradiation experiments to be performed in order to confirm the proton assignments and to determine the magnitudes and relative signs of several inter-ring coupling constants. For the CDCl3 solution, it was found that there was broadening of the five-membered ring proton resonances at ambient temperature. A variable-temperature study showed that the broadening was arising from the exchange of the H1 and H3 protons and that the effects of exchange could be avoided by running the spectra at or below -20�.

Variable Temperature Nuclear Magnetic Resonance Studies of Some Five-Membered Ring Chelate Complexes

1975 ◽  
Vol 53 (7) ◽  
pp. 1038-1045 ◽  
Author(s):  
William R. Cullen ◽  
Laurance D. Hall ◽  
John E. H. Ward
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Temperature Dependence ◽  
Significant Variation ◽  
Conformational Equilibrium ◽  
Variable Temperature ◽  
Membered Ring ◽  
Coupling Constants ◽  
Chelate Complexes ◽  
Magnetic Resonance Studies

The temperature dependence of the n.m.r. spectra of nine ditertiary arsine chelate complexes of formula (CH3)2AsC(3)(3′)C(4) (4′)As(CH3)2M(CO)3X has been studied (M = Mo, Cr; X = CO; M = Mn; X = halogen; (3), (3′), (4), (4′) = H, F, Si(CH3)3, CN; but not all combinations ). Significant variation in coupling constants, indicating a shift in the conformer populations, was found only for the CHFCF2 bridged Mn(CO)3Cl complex, the CH2CF2 bridged Mn(CO)3Cl complex, and the CHFCHF bridged Mo(CO)4 complex. In the last case the 3JHH coupling constants were used to estimate ΔH ∼ 1 kcal/mol and ΔS ∼ 3 e.u for the conformational equilibrium.

Variable-Temperature Study of Syndiotactic Polystyrene

1989 ◽  
Vol 43 (3) ◽  
pp. 440-442 ◽  
Author(s):  
Richard A. Nyquist
Keyword(s):  
Ambient Temperature ◽  
Variable Temperature ◽  
Syndiotactic Polystyrene ◽  
Temperature Study ◽  
Crystalline Forms

IR data are presented which indicate that syndiotactic polystyrene exists in different crystalline forms at ambient temperature, depending upon its physical history.

Strongly hindered rotation in α,α,2,6-terrachlorotoluene. Stereospecific five-bond coupling. Hyperconjugative contributions to long-range sidechain-ring proton coupling constants

1968 ◽  
Vol 46 (12) ◽  
pp. 2187-2188 ◽  
Author(s):  
T. Schaefer ◽  
R. Schwenk ◽  
C. J. Macdonald ◽  
W. F. Reynolds
Keyword(s):  
Free Energy ◽  
Resonance Spectrum ◽  
Coupling Constants ◽  
Proton Resonance ◽  
Kcal Mole ◽  
Hindered Rotation ◽  
Ring Proton ◽  
Meta Position ◽  
Proton Coupling ◽  
Free Energy Of Activation

At −40 °C the C—H bond of the dichloromethyl group of α,α,2,6-tetrachlorotoluene lies in the plane of the ring. The proton resonance spectrum demonstrates a stereospecific five-bond coupling between the C—H proton and the ring proton in the meta position. The coupling to the para proton is essentially zero as expected from a hyperconjugative mechanism. The free energy of activation of rotation of the dichloromethyl group is about 15 kcal/mole at 25 °C.

scholarly journals N.M.R. studies of ligand exchange on acetylacetonatotrimethylplatinum(IV)

1975 ◽  
Vol 28 (4) ◽  
pp. 759 ◽  
Author(s):  
NS Ham ◽  
JR Hall ◽  
GA Swile
Keyword(s):  
Activation Energy ◽  
Quantitative Analysis ◽  
Ligand Exchange ◽  
Variable Temperature ◽  
Order Reaction ◽  
First Order Reaction ◽  
First Order ◽  
Cdcl3 Solution ◽  
Made In

A quantitative analysis of the variable-temperature 1H N.M.R. spectra of acetylacetonatotrimethyl-platinum(IV) has been made. In CDCl3 solution the exchange of acetylacetonate ligands is a first-order reaction and proceeds predominantly by dissociation of the dimer into two separated five-coordinate activated complexes. The activation energy is 61.5 � 0.8 kJ mol-1.

The High Resolution NMR Spectra of Pesticides. III. The Carbamates

1970 ◽  
Vol 53 (1) ◽  
pp. 157-179 ◽  
Author(s):  
L H Keith ◽  
A L Alford
Keyword(s):  
Nuclear Magnetic Resonance ◽  
High Resolution ◽  
Nmr Spectra ◽  
Chemical Shifts ◽  
Coupling Constants ◽  
Hindered Rotation ◽  
Solvent Dependence ◽  
Nuclear Magnetic Resonance Spectra ◽  
High Resolution Nmr ◽  
Proton Resonances

Abstract The high resolution nuclear magnetic resonance spectra of 35 carbamate pesticides and a major metabolite of one pesticide are discussed. The chemical shifts and coupling constants are tabulated and reproductions of the more complex or unusual spectra are included. A concentration and solvent dependence of both the NH-proton and the NCH3-proton resonances of an N-monosubstituted carbamate is discussed. Hindered rotation is observed in the N,N-dimethylcarbamates, the thiolcarbamates and the dithiocarbamates, but not in the N-methylcarbamates.

A [3Fe–3S]3+ cluster with exclusively μ-sulfide donors

2016 ◽  
Vol 52 (6) ◽  
pp. 1174-1177 ◽  
Author(s):  
Yousoon Lee ◽  
Ie-Rang Jeon ◽  
Khalil A. Abboud ◽  
Ricardo García-Serres ◽  
Jason Shearer ◽  
...  
Keyword(s):  
Mössbauer Spectroscopy ◽  
Ground State ◽  
Hyperfine Coupling ◽  
Mossbauer Spectroscopy ◽  
Variable Temperature ◽  
Coupling Constants ◽  
Hyperfine Coupling Constants ◽  
Mößbauer Spectroscopy ◽  
Pyramidal Geometry ◽  
Anisotropic Hyperfine

A [3Fe–3(μ-S)]3+ cluster is reported in which each ferric center has a distorted trigonal pyramidal geometry, with an S = 1/2 ground state for the cluster and unusually anisotropic hyperfine coupling constants as determined by variable temperature magnetometry and Mössbauer spectroscopy.

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