The direct detection of a hydrogen bond in the solid state by NMR through the observation of a hydrogen-bond mediated 15N-15N J coupling

被引：71

作者：

Brown, SP

Pérez-Torralba, M

Sanz, D

Claramunt, RM

Emsley, L ^{[1
]}

机构：

[1] Ecole Normale Super Lyon, CEA 23V, Lab Rech Convent, CNRS,ENS,UMR 5532,Lab Stereochim & Interact Mol, F-69364 Lyon, France

[2] Univ Nacl Educ Distancia, Fac Ciencias, Dept Quim Organ & Biol, E-28040 Madrid, Spain

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2002年 / 124卷 / 07期

关键词：

D O I：

10.1021/ja0172262

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A new method for detecting hydrogen bonds in the solid state is presented. Using two-dimensional NMR correlation experiments, it is shown that a hydrogen-bond mediated J coupling can be observed in a powder under magic-angle spinning conditions, even though the J coupling is 2 orders of magnitude smaller than the dominant anisotropic interactions encountered in solid-state NMR. Specifically, the observation of a pair of peaks in a two-dimensional 15N-15N solid-state INADEQUATE experiment due to two nitrogens that have no covalent connectivity is attributed to the presence of a J coupling across a linking hydrogen bond. Copyright © 2002 American Chemical Society.

引用

页码：1152 / 1153

页数：2

共 50 条

[1] The largest 15N-15N coupling constant across an NHN hydrogen bond
Pietrzak, Mariusz
Try, Andrew C.
Andrioletti, Bruno
Sessler, Jonathan L.
Anzenbacber, Pavel, Jr.
Limbach, Hans-Heinrich
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2008, 47 (06) : 1123 - 1126
[2] 15N-15N spin-spin coupling constants through intermolecular hydrogen bonds in the solid state
Claramunt, Rosa M.
Perez-Torralba, Marta
Maria, Dolores Santa
Sanz, Dionisia
Elena, Benedicte
Alkorta, Ibon
Elguero, Jose
JOURNAL OF MAGNETIC RESONANCE, 2010, 206 (02) : 274 - 279
[3] Indirect Nuclear 15N-15N Scalar Coupling through a Hydrogen Bond: Dependence on Structural Parameters Studied by Quantum Chemistry Tools
Kristkova, Anezka
Asher, James R.
Malkin, Vladimir G.
Malkina, Olga L.
JOURNAL OF PHYSICAL CHEMISTRY A, 2013, 117 (38): : 9235 - 9244
[4] Weak Intermolecular CH•••N Hydrogen Bonding: Determination of 13CH-15N Hydrogen-Bond Mediated J Couplings by Solid-State NMR Spectroscopy and First-Principles Calculations
Webber, Amy L.
Yates, Jonathan R.
Zilka, Miri
Sturniolo, Simone
Uldry, Anne-Christine
Corlett, Emily K.
Pickard, Chris J.
Perez-Torralba, Marta
Angeles Garcia, M.
Santa Maria, Dolores
Claramunt, Rosa M.
Brown, Steven P.
JOURNAL OF PHYSICAL CHEMISTRY A, 2020, 124 (03): : 560 - 572
[5] HYDROGEN-BOND LENGTH AND N-15 NMR CHEMICAL-SHIFT OF THE GLYCINE RESIDUE OF SOME OLIGOPEPTIDES IN THE SOLID-STATE
KUROKI, S
ASAKAWA, N
ANDO, S
ANDO, I
SHOJI, A
OZAKI, T
JOURNAL OF MOLECULAR STRUCTURE, 1991, 245 (1-2) : 69 - 80
[6] HYDROGEN-BOND ASSISTED OBSERVATION OF HCNH H-1-NMR COUPLING IN N-METHYLANILINES
CLARK, JH
MILLER, JM
PAONE, S
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1982, (01) : 63 - 63
[7] Localization of hydrogen bond deuterons in proton sponges by dipolar solid state 15N NMR spectroscopy
Lopez, C
Lorente, P
Claramunt, RM
Marin, J
Foces-Foces, C
Llamas-Saiz, AL
Elguero, J
Limbach, HH
BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 1998, 102 (03): : 414 - 418
[8] Localization of hydrogen bond deuterons in proton sponges by dipolar solid state 15N NMR spectroscopy
Ber Bunsenges Phys Chem Chem Phys, 3 (414-418):
[9] A theoretical study of correlation between hydrogen-bond stability and J-coupling through a hydrogen bond
Kawahara, S
Kojima, C
Taira, K
Uchimaru, T
HELVETICA CHIMICA ACTA, 2003, 86 (10) : 3265 - 3273
[10] Density functional theory calculations of hydrogen-bond-mediated NMR J coupling in the solid state
Joyce, Siân A.
Yates, Jonathan R.
Pickard, Chris J.
Brown, Steven P.
Journal of the American Chemical Society, 2008, 130 (38): : 12663 - 12670

← 1 2 3 4 5 →