Deuterium isotope effects on the 119Sn shielding constants and spin–spin coupling constants in stannane and the stannonium cation

1987 ◽  
Vol 65 (7) ◽  
pp. 1469-1473 ◽  
Author(s):  
Kevin L. Leighton ◽  
Roderick E. Wasylishen
Keyword(s):  
Isotope Effect ◽  
Isotope Effects ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Chemical Shielding ◽  
Equilibrium Bond Length ◽  
Shielding Constants ◽  
Spin Coupling Constants ◽  
Deuterium Isotope Effects ◽  
Spin Spin Coupling

Deuterium induced isotope effects on the 119Sn chemical shielding constants have been measured for stannane and the stannonium cation; they are found to be approximately −0.403 ppm/D and −0.05 ppm/D respectively. The 119Sn shifts in the series SnDnH4−n (n ≤ 4) deviate from additivity as predicted by Jameson and Osten. The primary and secondary isotope effects on Sn–H spin–spin coupling for stannane were obtained and are −2.8 Hz and −1.7 Hz respectively. The primary isotope effect for Sn–H spin–spin coupling for the stannonium cation was found to be −11.6 ± 7 Hz; an accurate value for the secondary isotope effect on the spin–spin coupling could not be obtained. The derivative of the 119Sn shielding constant and J (Sn,H) with respect to extensions in the equilibrium bond length have been calculated for stannane.

Deuterium isotope effects on nuclear shielding constants and spin–spin coupling constants in the ammonium ion, ammonia, and water

1987 ◽  
Vol 65 (9) ◽  
pp. 2238-2243 ◽  
Author(s):  
Roderick E. Wasylishen ◽  
Jan O. Friedrich
Keyword(s):  
Isotope Effects ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Proton Nuclear Magnetic Resonance ◽  
Ammonium Ion ◽  
Equilibrium Bond Length ◽  
Shielding Constants ◽  
Spin Coupling Constants ◽  
Deuterium Isotope Effects ◽  
Spin Spin Coupling

Deuterium isotope effects on 15N chemical shifts have been investigated for the ammonium ion, ammonia, and aniline; 1Δ15N(2/1H) equals −293.3, −622.9, and −714.6 ppb respectively. Deviations from additivity are noted for NH4−nDn+ and NH3−nDn; these deviations follow the predictions of Jameson and Osten. For ammonia, examination of the proton nuclear magnetic resonance spectrum yields 1Δ1H(15/14N) = −2.0 ± 0.4 ppb and [Formula: see text]. An accurate value of −1545 ± 5 ppb was obtained for 1Δ17O(2/1H) in water. Derivatives of the heavy atom shielding constants with respect to extensions in the equilibrium bond length have been estimated for NH4+, NH3, and H2O; these derivatives are compared with the recent calculations of Chesnut. Deuterium isotope effects on 1J (15N,H) in ammonia and aniline have been measured for the first time. For the ammonium ion, deuterium isotope effects on 1J (15N,H) are in good agreement with the less accurate values we previously observed on 1J (14N,H). In the case of water, both primary and secondary deuterium isotope effects on 1J (17O,H) are less than 2%. The isotope effects on the spin–spin coupling constants observed here are compared with those previously reported for other hydrides in the literature.

Chemical Shifts and Coupling Constants in Copper (I)-Compounds by 63Cu and 65Cu FT-NMR Studies

1978 ◽  
Vol 33 (9) ◽  
pp. 1021-1024
Author(s):  
O. Lutz ◽  
H. Oehler ◽  
P. Kroneck
Keyword(s):  
Isotope Effect ◽  
Chemical Shifts ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Magnetic Shielding ◽  
Nmr Studies ◽  
Nmr Chemical Shifts ◽  
Shielding Constants ◽  
Spin Coupling Constants ◽  
Spin Spin Coupling

Using 63Cu and 65Cu FT NMR, chemical shifts and large indirect spin-spin-coupling constants with phosphorus were measured in dissolved copper (I) compounds. The nuclear magnetic shielding constants derived from the chemical shifts were given in the atomic reference scale. No isotope effect for spin-spin-coupling constants was found.

Correlating the 31P NMR Chemical Shielding Tensor and the 2JP,C Spin–Spin Coupling Constants with Torsion Angles ζ and α in the Backbone of Nucleic Acids

2012 ◽  
Vol 116 (12) ◽  
pp. 3823-3833 ◽  
Author(s):  
Ladislav Benda ◽  
Zuzana Sochorová Vokáčová ◽  
Michal Straka ◽  
Vladimír Sychrovský
Keyword(s):  
Nucleic Acids ◽  
31P Nmr ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Chemical Shielding ◽  
Torsion Angles ◽  
Spin Coupling Constants ◽  
Shielding Tensor ◽  
Spin Spin Coupling

13C, 1H-Spin-Spin Kopplungskonstanten, Teil IVAdamantan / 13C, 1H Spin-Spin Coupling Constants, Part IVAdamantane

1979 ◽  
Vol 34 (3) ◽  
pp. 528-529 ◽  
Author(s):  
Rafet Aydin ◽  
Harald Günther
Keyword(s):  
Chemical Shifts ◽  
Isotope Effects ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Substitution Pattern ◽  
Spin Coupling Constants ◽  
Spin Spin Coupling

Abstract One-bond, geminal, and vicinal 13C, 1H coupling constants have been determined for adamantane using α-and β-[D]adamantane and the relation nJp(13C, 1H) = 6,5144 nJ(13C, 2H) for the conversion of the measured nJ(13C, 2H) values. It is shown that the magnitude of 3Jtrans is strongly influenced by the substitution pattern. Relative H,D isotope effects for 13C chemical shifts are given.

NMR Chemical Shielding and Spin−Spin Coupling Constants of Liquid NH3: A Systematic Investigation using the Sequential QM/MM Method†

2009 ◽  
Vol 113 (52) ◽  
pp. 14936-14942 ◽  
Author(s):  
Rodrigo M. Gester ◽  
Herbert C. Georg ◽  
Sylvio Canuto ◽  
M. Cristina Caputo ◽  
Patricio F. Provasi
Keyword(s):  
Systematic Investigation ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Chemical Shielding ◽  
Spin Coupling Constants ◽  
Spin Spin Coupling
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