The Chemical Bond: The Perspective of NMR Spectroscopy

被引：28
作者：
Dracinsky, M. [1 ]
机构：
[1] Acad Sci, Inst Organ Chem & Biochem, Prague, Czech Republic
来源：
ANNUAL REPORTS ON NMR SPECTROSCOPY, VOL 90 | 2017年 / 90卷
关键词：
NMR spectroscopy; Chemical bonding; Bond distance; Chemical shifts; DFT calculations; Hydrogen bonding; SOLID-STATE NMR; NUCLEAR-MAGNETIC-RESONANCE; CROSS-CORRELATED RELAXATION; CENTER-DOT-O; INTRAMOLECULAR HYDROGEN-BONDS; RESIDUAL DIPOLAR COUPLINGS; SHIFT ANISOTROPY TENSORS; AB-INITIO CALCULATIONS; SPIN-SPIN COUPLINGS; ACID-BASE COMPLEXES;
D O I：
10.1016/bs.arnmr.2016.07.001
中图分类号：
O433 [光谱学];
学科分类号：
0703 ; 070302 ;
摘要：
This review article deals with chemical bonding from the perspective of nuclear magnetic resonance (NMR) spectroscopy. Different types of chemical bonds are briefly discussed and the relation between chemical bonding and NMR observables is overviewed. The various NMR interactions are classified in terms of through-bond and through-space effects on their observable values. The effects of vibrational motion and nuclear delocalization on NMR parameters and the consequences for the experimental determination of bond distances are also discussed. Finally, NMR experiments in studies of hydrogen bonding are summarized in Section 5.
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页码：1 / 40
页数：40
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共 232 条
[1]   STRUCTURES OF THE TRICLINIC AND MONOCLINIC MODIFICATIONS OF (2-OXO-1-PYRROLIDINYL)ACETAMIDE [J].
ADMIRAAL, G ;
EIKELENBOOM, JC ;
VOS, A .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1982, 38 (OCT) :2600-2605
[2]   Comparative analysis of hydrogen bonding with participation of the nitrogen, oxygen and sulfur atoms in the 2(2′-heteroaryl)pyrroles and their trifluoroacetyl derivatives based on the 1H, 13C, 15N spectroscopy and DFT calculations [J].
Afonin, Andrei V. ;
Vashchenko, Alexander V. ;
Ushakov, Igor A. ;
Zorina, Nadezhda V. ;
Schmidt, Elena Yu. .
MAGNETIC RESONANCE IN CHEMISTRY, 2008, 46 (05) :441-447
[3]   GIAO, DFT, AIM and NBO analysis of the N-H•••O intramolecular hydrogen-bond influence on the 1J(N,H) coupling constant in push-pull diaminoenones [J].
Afonin, Andrei V. ;
Ushakov, Igor A. ;
Vashchenko, Alexander V. ;
Kondrashov, Evgeniy V. ;
Rulev, Alexander Yu .
MAGNETIC RESONANCE IN CHEMISTRY, 2010, 48 (09) :661-670
[4]   Theoretical study of bifurcated hydrogen bonding effects on the 1J(N,H), 1hJ(N,H), 2hJ(N,N) couplings and 1H, 15N shieldings in model pyrroles [J].
Afonin, Andrei V. ;
Vashchenko, Alexander V. .
MAGNETIC RESONANCE IN CHEMISTRY, 2010, 48 (04) :309-317
[5]   Different types of hydrogen bonds in 2-substituted pyrroles and 1-vinyl pyrroles as monitored by 1H, 13C and 15N NMR spectroscopy and ab initio calculations [J].
Afonin, AV ;
Ushakov, IA ;
Sobenina, LN ;
Stepanova, ZV ;
Petrova, OV ;
Trofimov, BA .
MAGNETIC RESONANCE IN CHEMISTRY, 2006, 44 (01) :59-65
[6]   Review on DFT and ab initio calculations of scalar coupling constants [J].
Alkorta, I ;
Elguero, J .
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2003, 4 (03) :64-92
[7]   A theoretical and experimental study of the interaction of C6F6 with electron donors [J].
Alkorta, I ;
Rozas, I ;
Jimeno, ML ;
Elguero, J .
STRUCTURAL CHEMISTRY, 2001, 12 (06) :459-464
[8]   A review with comprehensive data on experimental indirect scalar NMR spin-spin coupling constants across hydrogen bonds [J].
Alkorta, Ibon ;
Elguero, Jose ;
Denisov, Gleb S. .
MAGNETIC RESONANCE IN CHEMISTRY, 2008, 46 (07) :599-624
[9]   PROTON, DEUTERIUM, AND TRITIUM NUCLEAR MAGNETIC-RESONANCE OF INTRA-MOLECULAR HYDROGEN-BONDS - ISOTOPE EFFECTS AND SHAPE OF POTENTIAL-ENERGY FUNCTION [J].
ALTMAN, LJ ;
LAUNGANI, D ;
GUNNARSSON, G ;
WENNERSTROM, H ;
FORSEN, S .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (26) :8264-8266
[10]   Magnetic resonance tensors in Uracil: Calculation of 13C, 15N, 17O NMR chemical shifts, 17O and 14N electric field gradients and measurement of 13C and 15N chemical shifts [J].
Amini, Saeed K. ;
Shaghaghi, Hoora ;
Bain, Alex D. ;
Chabok, Ammar ;
Tafazzoli, Mohsen .
SOLID STATE NUCLEAR MAGNETIC RESONANCE, 2010, 37 (1-2) :13-20
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