Nuclear magnetic resonance spectral parameters and ring interconversion of a series of piperazines

1970 ◽  
Vol 74 (14) ◽  
pp. 2816-2822 ◽  
Author(s):  
Richard G. Lett ◽  
Leonidas Petrakis ◽  
Alan F. Ellis ◽  
R. K. Jensen
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Spectral Parameters ◽  
Nuclear Magnetic

Studies of specifically fluorinated carbohydrates. Part I. Nuclear magnetic resonance studies of hexopyranosyl fluoride derivatives

1969 ◽  
Vol 47 (1) ◽  
pp. 1-17 ◽  
Author(s):  
L. D. Hall ◽  
J. F. Manville ◽  
N. S. Bhacca
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Angular Dependence ◽  
Chemical Shifts ◽  
Relative Orientation ◽  
Coupling Constants ◽  
Pyranose Ring ◽  
Spectral Parameters ◽  
Magnetic Resonance Studies ◽  
Nuclear Magnetic

A detailed study has been made of both the 1H and 19F nuclear magnetic resonance (n.m.r.) spectra of a series of hexopyranosyl fluoride derivatives. Some of the 1H spectra were measured at 220 MHz. The 1H spectral parameters define both the configuration and the conformation of each of these derivatives. Study of the 19F n.m.r. parameters revealed several stereospecific dependencies. The 19F chemical shifts depend upon, (a) the orientation of the fluorine substituent with respect to the pyranose ring and, (b) the relative orientation of other substituents attached to the ring; for acetoxy substituents, these configurational dependencies appear to be additive. The vicinal19F–1H coupling constants exhibit a marked angular dependence for which Jtrans = ca. 24 Hz whilst Jgauche = 1.0 to 1.5 Hz for [Formula: see text] and 7.5 to 12.6 Hz for [Formula: see text] The geminal19F–1H couplings depend on the orientation of the substituent at C-2; when this substituent is equatorial JF,H is ca. 53.5 Hz and when it is axial the value is ca. 49 Hz.

Analysis of 1H and 13C{1H} NMR Spectral Parameters of Diphenylchloroarsine, Diphenylcyanoarsine, and 10-Chloro- 5,10-Dihydrophenarsazine: Identification of the Compounds through Reference to Simulated Spectra

1997 ◽  
Vol 51 (5) ◽  
pp. 733-737 ◽  
Author(s):  
Markku Mesilaakso ◽  
Eeva-Liisa Tolppa ◽  
Paula Nousiainen
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
1H Nmr ◽  
Nmr Spectra ◽  
Spectral Parameters ◽  
H Nmr ◽  
Iterative Analysis ◽  
Simulation Of Spectra ◽  
Nuclear Magnetic

The 1H and 13C{1H} nuclear magnetic resonance (NMR) spectra of diphenylchloroarsine, diphenylcyanoarsine, and 10-chloro-5,10-dihydrophenarsazine were recorded from samples prepared in CDCl3, CD2Cl2, and (CD3)2CO. Spectra were analyzed, and detailed 1H NMR spectral parameters were determined by iterative analysis. Simulation of spectra and their use as reference spectra for identification of the compounds under different conditions are discussed.

1H and 13C nuclear magnetic resonance studies on the Diels–Alder adducts of isoquinolin-3(2H)-ones

1985 ◽  
Vol 63 (5) ◽  
pp. 1001-1004 ◽  
Author(s):  
Gâbor Tóth ◽  
Attila Almásy ◽  
László Hazai ◽  
Antal Schnitta ◽  
Gyula Devák
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Diels Alder ◽  
Spectral Parameters ◽  
Magnetic Resonance Studies ◽  
13C Nuclear Magnetic Resonance ◽  
Nuclear Magnetic

The stereochemistry of the adducts of isoquinolin-3(2H)-ones and maleimides was studied and 1H and 13C spectral parameters of the endo and exo stereoisomers were determined. The predominant rotamers generated by rotation about the C(7)—C(7a) and (C1)—C(1′) bonds were identified.

Identification of Polychlorinated Pyrenes and Pyrene-Addition Products Using Proton Nuclear Magnetic Resonance Techniques

1987 ◽  
Vol 41 (7) ◽  
pp. 1194-1199 ◽  
Author(s):  
David L. Ashley ◽  
Elizabeth R. Barnhart ◽  
Donald G. Patterson ◽  
Robert H. Hill
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Nmr Spectra ◽  
Chemical Shifts ◽  
Proton Nuclear Magnetic Resonance ◽  
Relaxation Rates ◽  
Spectral Parameters ◽  
Normal Orientation ◽  
Nmr Techniques ◽  
Nuclear Magnetic

Nuclear magnetic resonance (NMR) techniques are used to determine the chlorination pattern on a number of chlorinated pyrenes and pyrene-addition products. Determining chemical shifts, couplings, and longitudinal relaxation rates makes the unequivocal assignment of these molecules possible. Chlorination under the conditions described here were found to follow the normal orientation rules for pyrene. Spectral parameters obtained from these molecules are consistent enough to allow further application to unknown compounds. This should simplify assigning NMR spectra to other chlorinated pyrene standards.

Nuclear Magnetic Resonance Analysis of Air Entraining Natural Pumice Concrete Freeze-Thaw Damage

2014 ◽  
Vol 919-921 ◽  
pp. 1939-1943 ◽  
Author(s):  
Xiao Xiao Wang ◽  
Xiang Dong Shen ◽  
Hai Long Wang ◽  
Hong Xia Zhao
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Saline Solution ◽  
Nuclear Magnetic Resonance Analysis ◽  
Spectral Parameters ◽  
Freeze Thaw ◽  
Resonance Analysis ◽  
Concrete Damage ◽  
Intuitive Method ◽  
Nuclear Magnetic

Based on the existed research and analysis methods of air entraining natural pumice concrete freeze-thaw damage, nuclear magnetic resonance (NMR) detection technique was introduced in the present study. From the research of essence of freeze-thaw coupling-induced concrete damage in saline solution, natural pumice concrete porosity and transversal relaxation time T2 spectral parameters were used as criteria, and nuclear magnetic resonance imaging (NMRI) technology, an intuitive method was used to determine freeze-thaw damage quantitatively.

Aqueous solution interaction of the methylmercuric cation with the dinucleotides CpG and dCpdG as studied by carbon-13 nuclear magnetic resonance spectroscopy

1986 ◽  
Vol 64 (10) ◽  
pp. 2038-2041 ◽  
Author(s):  
G. W. Buchanan ◽  
M. J. Bell
Keyword(s):  
Aqueous Solution ◽  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Chemical Shifts ◽  
The Self ◽  
Coupling Constants ◽  
Resonance Spectroscopy ◽  
Spectral Parameters ◽  
Guanine Base ◽  
Nuclear Magnetic

13C nuclear magnetic resonance chemical shifts and 13C–31P coupling constants are reported for the self-complementary dinucleotides CpG and dCpdG in aqueous solution. The influence of methylmercuration at pH 6.0 on these spectral parameters has been examined. Results are interpreted in terms of preferential methylmercuration at the N-7 site of the guanine base of each dinucleotide with concomitant base destacking.

Nuclear magnetic resonance spectral parameters of α,α,α-trifluorotoluene

1969 ◽  
Vol 47 (18) ◽  
pp. 3313-3318 ◽  
Author(s):  
R. J. Kostelnik ◽  
M. P. Williamson ◽  
D. E. Wisnosky ◽  
S. M. Castellano
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Spectral Data ◽  
Chemical Shifts ◽  
Coupling Constants ◽  
Spectral Parameters ◽  
Nuclear Magnetic

The 60 and 100 MHz proton spectra of α,α,α-trifluorotoluene have been recorded and analyzed in terms of chemical shifts and coupling constants. The results of the analyses are compared and the values of the spectral parameters discussed. The nuclear magnetic resonance spectral data of 2-chloro-5-nitro-α,α,α-trifluorotoluene are also reported.

The nuclear magnetic resonance spectra and stereochemistry of 4-Benzoyloxy-1-thiaflavans

1967 ◽  
Vol 20 (10) ◽  
pp. 2235 ◽  
Author(s):  
GF Katekar ◽  
AG Moritz
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Double Resonance ◽  
Heterocyclic Ring ◽  
Coupling Constants ◽  
Spectral Parameters ◽  
Nuclear Magnetic Resonance Spectra ◽  
Cis And Trans ◽  
Magnetic Resonance Spectra ◽  
Nuclear Magnetic

The nuclear magnetic resonance spectra of cis- and trans-4-benzoyloxy- 1-thiaflavan in deuterochloroform have been investigated at 60 Mc/s. The spectral parameters for the heterocyclic ring protons have been obtained by analysis of the frequency-sweep double-resonance spectra and verified by an iterative technique using a digital computer. Long- range coupling constants were observed between the protons at C 4 and C 5 (J 0.8 c/s) and between the protons at C 2 and C 4 (J 0.2 c/s) for the cis isomer.

Fluorinated carbohydrates. Part V. Nuclear magnetic resonance data on pyranose and furanose derivatives of 3-deoxy-3-fluoro-D-glucose

1970 ◽  
Vol 48 (24) ◽  
pp. 3937-3945 ◽  
Author(s):  
A. B. Foster ◽  
R. Hems ◽  
L. D. Hall
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Nuclear Magnetic Resonance Data ◽  
Spectral Parameters ◽  
Magnetic Resonance Data ◽  
Resonance Data ◽  
Derivatives Of ◽  
Glucose Derivatives ◽  
Nuclear Magnetic

The n.m.r. spectra of a series of 3-fluorinated glucose derivatives have been measured; spectral assignments were confirmed by 1H–{19F} heteronuclear decoupling experiments. The 19F spectral parameters illustrate a variety of stereospecific dependencies, the most noteworthy being that of 4JF,H couplings, for which 4Je,e = ca. + 4.0 Hz while 4Je,a = ca. − 1.5 Hz.

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