𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Inter- and intra-molecular hydrogen bonding effects on geminal 15N, 1H spin coupling and 15N chemical shifts in pyridine derivatives

✍ Scribed by W. Holzer; W. Von Philipsborn

Publisher
John Wiley and Sons
Year
1989
Tongue
English
Weight
362 KB
Volume
27
Category
Article
ISSN
0749-1581

No coin nor oath required. For personal study only.

✦ Synopsis

The two-bond "N,H coupling constant in 3,5dimethylpyridine was determined in 30 solvents and shown to vary between -11 and -3 Hz. An increasing ability of the solvent to form hydrogen bonds causes a steady decrease in I *J("N,H) I , which is also observed with some selected pyridine derivatives with intramolecular hydrogen bonds.

A linear correlation is found between the positive lone-pair effect on I 'J("N,H) I and the decrease in nitrogen shielding.

📜 SIMILAR VOLUMES

15N chemical shifts and one bond 15N1H c
15N chemical shifts and one bond 15N1H coupling constants in simple amides
✍ J. P. Marchal; D. Canet 📂 Article 📅 1981 🏛 John Wiley and Sons 🌐 English ⚖ 294 KB

## Abstract An indirect method is employed for determining the ^15^N parameters at the natural abundance level in a series of simple acyclic and cyclic amides. The one bond coupling constant, ^1^__J__(^15^N^1^H), and the ^15^N chemical shift are measured as a function of the carbonyl substituent gr

Hydrogen Bonding Effects on the 15N and
Hydrogen Bonding Effects on the 15N and 1H Shielding Tensors in Nucleic Acid Base Pairs
✍ Jiřı́ Czernek; Radovan Fiala; Vladimı́r Sklenář 📂 Article 📅 2000 🏛 Elsevier Science 🌐 English ⚖ 67 KB

The results of systematic ab initio calculations of 15 N and 1 H chemical shielding tensors in the GC base pair as a function of hydrogen bond length are presented for the first time. The hydrogen bond length characterized by the distance r N. . .N between purine N1 and pyrimidine N3 was varied betw

Theoretical study of bifurcated hydrogen
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
✍ Andrei V. Afonin; Alexander V. Vashchenko 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 196 KB

## Abstract According to the density functional theory calculations, the X···H···N (XN, O) intramolecular bifurcated (three‐centered) hydrogen bond with one hydrogen donor and two hydrogen acceptors causes a significant decrease of the ^1h^__J__(N,H) and ^2h^__J__(N,N) coupling constants across th

Predominance of resonance over polar eff
Predominance of resonance over polar effects on 1H, 13C and 15N NMR substituent chemical shifts in N-arylglycines
✍ Ryszard Gawinecki; Erkki Kolehmainen; Zdzisław Kucybała; Borys Ośmiałowski; Reij 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 260 KB 👁 2 views

1H, 13C and 15N NMR spectra of the ring-substituted N-phenylglycines (1) and their ethyl esters (2) were measured in The chemical shift determinations and assignments are based on modern inverse 2D DMSO-d 6 . techniques (HMQC, HMBC). Dependences between chemical shifts and substituent constants sho

1H/15N NMR chemical shielding, dipolar 1
1H/15N NMR chemical shielding, dipolar 15N,2H coupling and hydrogen bond geometry correlations in a novel series of hydrogen-bonded acid–base complexes of collidine with carboxylic acids
✍ Phillipe Lorente; Ilja G. Shenderovich; Nikolai S. Golubev; Gleb S. Denisov; Ger 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 English ⚖ 394 KB

A novel series of hydrogen-bonded solid 1 : 1 acid-base complexes of 15 N-labeled 2,4,6-trimethylpyridine (collidine) with carboxylic acids and their hydrogen bond deuterated analogs were synthesized and studied by 1 H magic angle spinning (MAS) and 15 N cross-polarization NMR with and without MAS.