APPROACH TO THE CONFORMATIONAL BEHAVIOR OF TETRAAZAMACROCYCLES IN THE SOLUTION-STATE - NMR AND MOLECULAR MODELING STUDIES

被引:2
|
作者
BOETZEL, R
FAILLA, S
FINOCCHIARO, P
HAGELE, G
机构
[1] UNIV DUSSELDORF,INST ANORGAN CHEM & STRUKTURCHEM 1,D-40225 DUSSELDORF,GERMANY
[2] UNIV CATANIA,FAC INGN,IST CHIM,I-95125 CATANIA,ITALY
关键词
MACROCYCLES NMR; H-1; NMR; C-13; MOLECULAR MODELING; CONFORMATION;
D O I
10.1002/mrc.1260330208
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The differences in complexation behaviour of two diastereomeric tetraazamacrocycles, meso (1) and racemic (2) 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane, are explained by different conformations in solution, 1 being one stable conformer of almost rigid structure while 2 shows higher conformational flexibility to avoid steric strain, The methods used were H-1 and C-13 NMR and molecular modelling.
引用
收藏
页码:128 / 133
页数:6
相关论文
共 50 条
  • [41] A NOVEL ROUTE TO CALIX[4]ARENES .2. SOLUTION-STATE AND SOLID-STATE STRUCTURAL-ANALYSES AND MOLECULAR MODELING STUDIES
    BOTTA, B
    DIGIOVANNI, MC
    DELLEMONACHE, G
    DE ROSA, MC
    GACSBAITZ, E
    BOTTA, M
    CORELLI, F
    TAFI, A
    SANTINI, A
    BENEDETTI, E
    PEDONE, C
    MISITI, D
    JOURNAL OF ORGANIC CHEMISTRY, 1994, 59 (06): : 1532 - 1541
  • [42] Solution-state NMR evaluation of molecular interaction between monoaromatic carboxylic acids and dissolved humic acid
    Bhawna Chaubey
    Pooja Singh
    Samanwita Pal
    Environmental Science and Pollution Research, 2021, 28 : 17775 - 17788
  • [43] SOLID-STATE AND SOLUTION-STATE P-31 NMR-STUDIES OF THE HEMOGLOBIN INOSITOL HEXAPHOSPHATE COMPLEX
    KHODR, H
    MOORE, GR
    STRIKE, AJ
    WILLIAMSON, DJ
    BIOCHEMICAL SOCIETY TRANSACTIONS, 1988, 16 (05) : 839 - 840
  • [44] Optically generated hyperpolarization for sensitivity enhancement in solution-state NMR spectroscopy
    Dale, Matthew W.
    Wedge, Christopher J.
    CHEMICAL COMMUNICATIONS, 2016, 52 (90) : 13221 - 13224
  • [45] Solution-state NMR experiments based on heteronuclear cross-polarization
    Nolis, Pau
    Parella, Teodor
    CURRENT ANALYTICAL CHEMISTRY, 2007, 3 (01) : 47 - 68
  • [46] NMR AND MOLECULAR-MODELING STUDIES OF THE SOLUTION CONFORMATION OF HEPARIN
    MULLOY, B
    FORSTER, MJ
    JONES, C
    DAVIES, DB
    BIOCHEMICAL JOURNAL, 1993, 293 : 849 - 858
  • [47] Polychromatic Decoupling of a Manifold of Homonuclear Scalar Interactions in Solution-State NMR
    Carnevale, Diego
    Segawa, Takuya F.
    Bodenhausen, Geoffrey
    CHEMISTRY-A EUROPEAN JOURNAL, 2012, 18 (37) : 11573 - 11576
  • [48] Structural Investigation of HCN Polymer Isotopomers by Solution-State Multidimensional NMR
    He, Chao
    Lin, Guangxin
    Upton, Kathleen T.
    Imanaka, Hiroshi
    Smith, Mark A.
    JOURNAL OF PHYSICAL CHEMISTRY A, 2012, 116 (19): : 4751 - 4759
  • [49] Reducing bias in the analysis of solution-state NMR data with dynamics detectors
    Smith, Albert A.
    Ernst, Matthias
    Meier, Beat H.
    Ferrage, Fabien
    JOURNAL OF CHEMICAL PHYSICS, 2019, 151 (03):
  • [50] Characterisation of denatured states of sensory rhodopsin II by solution-state NMR
    Tan, Yi Lei
    Mitchell, James
    Klein-Seetharaman, Judith
    Nietlispach, Daniel
    JOURNAL OF MOLECULAR BIOLOGY, 2019, 431 (15) : 2790 - 2809