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
  • [31] Microstructure of Copolymers of Norbornene Based on Assignments of 13C NMR Spectra: Evolution of a Methodology
    Boggioni, Laura
    Losio, Simona
    Tritto, Incoronata
    POLYMERS, 2018, 10 (06):
  • [32] Unequivocal total assignment of 13C and 1H NMR spectra of some pyrido[1,2-a] pyrimidine derivatives by 2D-NMR
    Suri, KA
    Suri, OP
    Amina, M
    Wakhloo, BP
    Satti, NK
    MAGNETIC RESONANCE IN CHEMISTRY, 2003, 41 (09) : 747 - 749
  • [33] Complete 1H and 13C NMR signal assignments of glaucolide B
    Costa, AV
    Barbosa, LCD
    Lopes, JLC
    Piló-Veloso, D
    MAGNETIC RESONANCE IN CHEMISTRY, 2000, 38 (08) : 675 - 679
  • [34] Functionalized pinols:: 13C and 1H NMR spectra assignments and structures
    Kaiser, CR
    da Silva, FM
    Jones, J
    de Mattos, MCS
    SPECTROSCOPY LETTERS, 2001, 34 (03) : 387 - 394
  • [35] 1H and 13C NMR spectra of commercial rhodamine ester derivatives
    Ramos, SS
    Vilhena, AF
    Santos, L
    Almeida, P
    MAGNETIC RESONANCE IN CHEMISTRY, 2000, 38 (06) : 475 - 478
  • [36] Co-acquisition of hyperpolarised 13C and 15N NMR spectra
    Day, Iain J.
    Mitchell, John C.
    Snowden, Martin J.
    Davis, Adrian L.
    MAGNETIC RESONANCE IN CHEMISTRY, 2007, 45 (12) : 1018 - 1021
  • [37] Estimation of the lateral dimensions of cellulose crystallites using 13C NMR signal strengths
    Newman, RH
    SOLID STATE NUCLEAR MAGNETIC RESONANCE, 1999, 15 (01) : 21 - 29
  • [38] Improving quantitative 13C NMR performance by an adiabatic scheme
    Wollinger, Wagner
    Fernandes, Jane L. N.
    Queiroz Junior, Luiz Henrique K.
    Garrido, Bruno C.
    de Aquino Neto, Francisco R.
    MICROCHEMICAL JOURNAL, 2018, 140 : 167 - 175
  • [39] 13C NMR studies of liquid crystals
    Fung, BM
    PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY, 2002, 41 (3-4) : 171 - 186
  • [40] 13C NMR study of N-acyl-S-homoserine lactone derivatives
    Lao, W
    Kjelleberg, S
    Kumar, N
    deNys, R
    Read, RW
    Steinberg, P
    MAGNETIC RESONANCE IN CHEMISTRY, 1999, 37 (02) : 157 - 158
12345