Hydrogen bonds determine the signal arrangement in 13C NMR spectra of nicotinate

被引：3
|
作者：
Gamov, G. A. [1 ]
Kuranova, N. N. [1 ]
Pogonin, A. E. [1 ]
Aleksandriiskii, V. V. [1 ,2 ]
Sharnin, V. A. [1 ]
机构：
[1] Ivanovo State Univ Chem & Technol, Res Inst Thermodynam & Kinet Chem Proc, Ivanovo, Russia
[2] Russian Acad Sci, GA Krestov Inst Solut Chem, Moscow, Russia
来源：
JOURNAL OF MOLECULAR STRUCTURE | 2018年 / 1154卷
关键词：
Nicotinate; H-1-N-15; HMBC; H-1-C-13; HSQC; NMR; Hydrogen bond; AQUEOUS-SOLUTIONS; ACID; WATER; ETHANOL; SOLVATION; THERMODYNAMICS; TEMPERATURES; SOLVENTS;
D O I：
10.1016/j.molstruc.2017.10.086
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Present work reports on studies of sodium nicotinate solutions in water and aqueous ethanol by means of H-1, C-13, N-15 NMR spectroscopy. The H(2) nucleus was observed to be the least shielded among pyridine ring protons whilst C(6) signal placed in the lowest field in relation to the other pyridine carbons. The hydrogen bonds formation between nicotinate and water molecules was shown to be probable reason of signal arrangement in C-13 NMR spectra of nicotinate. The heteronitrogen of nicotinate is less prone to the hydrogen bonding with water molecules than that of nicotinamide. The data on the change in the Gibbs energy of the nicotinate transfer and the results of the 13C NMR experiment are compared. (C) 2017 Elsevier B.V. All rights reserved.
引用
收藏
页码：565 / 569
页数：5
相关论文
共 50 条
  • [41] C-13 NMR-SPECTRA OF A SERIES OF 2',3',4'-TRIMETHOXYFLAVONES - REINVESTIGATION OF SIGNAL ASSIGNMENT IN C-13 NMR-SPECTRA OF FLAVONES
    WALLET, JC
    GAYDOU, EM
    MAGNETIC RESONANCE IN CHEMISTRY, 1993, 31 (05) : 518 - 519
  • [42] Reassignment of the 13C NMR spectrum of minomycin
    Takeuchi, Y
    Imafuku, Y
    Nishikawa, M
    ARKIVOC, 2003, : 39 - 46
  • [43] 13C NMR study of peach oil
    da Silva, EO
    Bathista, ALBS
    Tavares, MLB
    Priante, N
    Nogueira, JS
    JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE, 2005, 85 (13) : 2269 - 2272
  • [44] 13C NMR spectroscopy of eudesmane sesquiterpenes
    Oliveira, FC
    Ferreira, MJP
    Núñez, CV
    Rodriguez, GV
    Emerenciano, VP
    PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY, 2000, 37 (1-2) : 1 - 45
  • [45] Total assignments of 1H and 13C NMR spectra of isocatalpanol and a derivative of tecomaquinone
    Santos, AKL
    Assunçao, JC
    Fonseca, AM
    Pessoa, ODL
    Monte, FJQ
    Lemos, TLG
    Braz-Filho, R
    MAGNETIC RESONANCE IN CHEMISTRY, 2005, 43 (07) : 582 - 584
  • [46] 13C and 23Na solid-state NMR spectra of organosodium compounds
    Jost, S
    Günther, H
    MAGNETIC RESONANCE IN CHEMISTRY, 2003, 41 (05) : 373 - 378
  • [47] Changes in the 13C NMR spectra of tetra-n-butylammonium chloride by clathrate hydration
    Kida, Masato
    Jin, Yusuke
    Nagao, Jiro
    CHEMICAL PHYSICS, 2019, 522 : 233 - 237
  • [48] 13C PHIP NMR spectra and polarization transfer during the homogeneous hydrogenation of alkynes with parahydrogen
    Stephan, M
    Kohlmann, O
    Niessen, HG
    Eichhorn, A
    Bargon, J
    MAGNETIC RESONANCE IN CHEMISTRY, 2002, 40 (02) : 157 - 160
  • [49] Complete assignments of 1H and 13C NMR spectra of four hispanane diterpenoids
    Rodríguez, B
    Savona, G
    MAGNETIC RESONANCE IN CHEMISTRY, 2000, 38 (09) : 802 - 804
  • [50] 1H and 13C NMR signal assignments of some new N,N′-diacyl proflavine derivatives
    Benchabane, Y.
    Boyer, G.
    Faure, R.
    MAGNETIC RESONANCE IN CHEMISTRY, 2009, 47 (08) : 706 - 710
12345