Deuterium isotope effects on the nitrogen chemical shift and 1J(N,H) in the ammonium ion

1984 ◽  
Vol 80 (1) ◽  
pp. 585-587 ◽  
Author(s):  
Roderick E. Wasylishen ◽  
Jan O. Friedrich
Keyword(s):  
Chemical Shift ◽  
Isotope Effects ◽  
Ammonium Ion ◽  
Deuterium Isotope Effects

Deuterium isotope effects on the chemical shift of31P and on the spin-spin coupling constant1J(31P-1H)

1971 ◽  
Vol 22 (4) ◽  
pp. 715-719 ◽  
Author(s):  
A.A. Borisenko ◽  
N.M. Sergeyev ◽  
Yu.A. Ustynyuk
Keyword(s):  
Chemical Shift ◽  
Isotope Effects ◽  
Spin Coupling ◽  
Deuterium Isotope Effects ◽  
Spin Spin Coupling

scholarly journals Ab Initio Calculations of Deuterium Isotope Effects on Hydrogen and Nitrogen Nuclear Magnetic Shielding in the Hydrated Ammonium Ion.

1992 ◽  
Vol 46 ◽  
pp. 1065-1071 ◽  
Author(s):  
Marianne Munch ◽  
Aage E. Hansen ◽  
Poul Erik Hansen ◽  
Thomas D. Bouman ◽  
Frits Abildgaard ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Isotope Effects ◽  
Ammonium Ion ◽  
Magnetic Shielding ◽  
Deuterium Isotope Effects ◽  
Nuclear Magnetic

scholarly journals A Reinvestigation of One-Bond Deuterium Isotope Effects on Nitrogen and on Proton Nuclear Shielding for the Ammonium Ion.

1989 ◽  
Vol 43 ◽  
pp. 222-232 ◽  
Author(s):  
Poul Erik Hansen ◽  
Antonin Lycka ◽  
Unni Wiggen ◽  
Lars-Olof Öhman ◽  
José Ruiz ◽  
...  
Keyword(s):  
Isotope Effects ◽  
Ammonium Ion ◽  
Nuclear Shielding ◽  
Deuterium Isotope Effects

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.

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