Report No xxxx - Instytut Fizyki JÄdrowej PAN

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Table 1. 35 Cl – NQR results for tetrachlorophthalmide salts at 77K (ν Q – 35 Cl-NQR frequency, δν Q – full width at half-intensity). Lp. COMPOUND STRUCTURAL FORMULA ν Q [MHz] δν Q [kHz] 1 2 3 4 Lithium salt of tetrachlorophthalimide Sodium salt of tetrachlorophthalimide Potassium salt of tetrachlorophthalimide Cesium salt of tetrachlorophthalimide Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl O N O O N O O N O O N O 38.483 38.748 Li 39.484 39.556 K Cs 19 31 12 18 37.412 19 37.547 31 Na 37.582 10 37.613 11 36.928 37.205 38.077 38.102 14 14 24 22 35.701 15 36.932 10 37.021 24 38.504 18 On the basis of [1,2] the experimental dependence ν Q (R) was approximated by a theoretical function of the form: ⎛ R ⎞ ν Q = a + b exp⎜ − ⎟ (1) ⎝ c ⎠ where a,b,c – constants; R –the ionic radius of the substituent. The coupling of the strongly polar oxygen atoms with the chlorine atoms Cl(1) and Cl(4) leads to a decrease in the electron density on the nuclei of these atoms, so to an increase in the observed 35 Cl-NQR frequencies (Fig.2). The correlation of the data obtained in this study with the bactericidal activity of the compounds studied could help search for the derivatives of tetrachlorophtalimide showing higher effectiveness. References: 1. E.B.Bryll, J. Chem. Phys., 61, 424 (1974). 2. A.Walczak, Struktura elektronowa i dynamika molekularna chloranów ołowiu i cezu, badane za pomocą spektroskopii jądrowego rezonansu kwadrupolowego, praca magisterska, Wydział <strong>Fizyki</strong> UAM (2000). 94
13 C AND 1 H NUCLEAR MAGNETIC SHIELDING AND SPIN-SPIN COUPLING CONSTANTS OF 1,2- 13 C-ENRICHED ETHYLENE IN THE GAS PHASE Marcin Wilczek, Karol Jackowski Laboratory of NMR Spectroscopy, Department of Chemistry, Warsaw University, ul. Pasteura 1, 02-093 Warsaw, Poland; wilczek@chem.uw.edu.pl In this study we present gas phase measurements of the 1 H and 13 C NMR chemical s hifts and spin-spin coupling constants for 1,2- 13 C-ethylene ( 13 C 2 H 4 ). This isotopomer of ethylene gives an AA´XX´X´´X´´´ NMR spectrum of which the XX´X´´X´´´ and AA´ parts can be separately 1 13 monitored by the H and C NMR methods. The latter spectra are rather complex and in our laboratory they have been analyzed using the PERCH program [1]. It has enabled us to measure all the coupling constants of 1,2- 13 C-ethylene (i.e. 1 J CH , 1 J CH, 2 J HH , 3 CC , 2 J J HH(cis) and 3 J HH (tran s) ) in the 1 H and 13 C NMR spectra . The 13 C 2 H 4 compound has been investigated as the pure gas and as the solute in gaseous solutions where xenon and carbon dioxide have been used as gaseous solvents. We have observed the 1 H and 13 C NMR spectra of 13 C 2 H4 as functions of density and after extrapolation to zero density it was possible to determine all the shielding and spin-spin coupling constants independent of density for pure 1,2- 13 C-ethylene. T he values measured in gaseous solvents were additionally corrected for ethylene-ethylene intermolecular interactions and this way we could also determine the reliable NMR parameters for an isolated 13 C 2 H 4 molecule. It was especially important for the 1 J CC spin-spin coupling and for both the 1 H and 13 C shielding constants which were distinctly dependent on density. The other spin-spin couplings ( 1 J CH , 2 J CH , 2 J HH , 3 J HH(cis) and 3 J HH(trans) ) in a 1,2- 13 C- ethylene molecule were almost independent of density in the studied systems. This result is consistent with our previous investigations performed for 1,2- 13 C-acetylene [2] where the density dependence was also found only for the spin-spin coupling between carbon nuclei, 1 J CC . References: [1] R. Laatikainen, M. Niemitz, U. Weber, J. Sundelin, T. Hassinen, J. Vepsäläinen, J. Magn. Reson. A, 120 (1996) 1. [2] K. Jackowski, M. Wilczek, M. Pecul, J. Sadlej, J. Phys. Chem. A, 104 (2000) 5955. 95
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The Henryk Niewodniczański INSTITU
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Contents R. Banyś, A. Słowik, M.
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J. Kolmas, M. Uniczko, E. Kalinowsk
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Ł. Popenda, Z. Gdaniec, G. Dominia
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USEFULNESS OF PROTON MAGNETIC RESON
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INFLUENCE OF PARAMAGNETIC IONS ON F
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NMR RELAXATION OF PAPER SAMPLES Bar
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SPIN-LATTICE RELAXATION OF D 2 QUAN
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INVESTIGATION OF NEUROPROTECTING EF
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OPTICAL PUMPING OF 3 He Katarzyna C
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NMR STUDY OF GELATION PROCESS OF LO
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MRI INVESTIGATIONS OF HYDROGEL FORM
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CHEMICAL SHIFT TITRATION AT THE INT
Page 27 and 28:
LOCAL DYNAMICS AND ORGANIZATION OF
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1 H NMR DETECTION OF σ-ADDUCTS IN
Page 31 and 32:
HYDRATION OF WHEAT PHOTOSYNTHETIC M
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References: 1. H. Harańczyk On wat
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(EDV) and end-systolic (ESV) volume
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THE MOST STABLE POLYMORPHIC FORM OF
Page 39 and 40:
A DETERMINATION OF ABSOLUTE SHIELDI
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DIAGNOTIC VALUE OF MRI IN CONVERSIO
Page 43 and 44: NMR AND FTIR STUDY OF MOLECULAR DYN
Page 45 and 46: EFFECTS OF INTERMOLECULAR INTERACTI
Page 47 and 48: 600000 Integral of 1D MRI profils [
Page 49 and 50: simultaneous analyse of the tempera
Page 51 and 52: 1 H NMR STUDIES OF PLATINUM(II) CHL
Page 53 and 54: 35 Cl-NQR STUDY OF ELECTRONIC STRUC
Page 55 and 56: 35 Cl- NQR AND 1 H-NMR STUDY OF MOL
Page 57 and 58: THE SYNTHESIS AND NMR ANALYSIS OF T
Page 59 and 60: STUDY OF MOTIONAL PROCESSES OF DRAW
Page 61 and 62: intensity (arb. units) 0,20 0,15 0,
Page 63 and 64: data for Cβ-nonplanar model 3 are
Page 65 and 66: T 1 DISPERSION AND SELF-DIFFUSION N
Page 67 and 68: A LOW FIELD MRI SYSTEM FOR HYPERPOL
Page 69 and 70: 1 H MAS NMR OF FLAVONOIDS Katarzyna
Page 71 and 72: EFFECT OF TEMPERATURE ON LIPOSOME S
Page 73 and 74: 1 H, 13 C NMR AND GIAO/DFT CALCULAT
Page 75 and 76: NMR STUDY OF THE HUMIC ACIDS EXTRAC
Page 77 and 78: NMR STUDY OF LAYERED ANGANITE La 1.
Page 79 and 80: MAGNETIC SUSCEPTIBILITY EVALUATION
Page 81 and 82: A NOVEL SOURCE OF MAGNETIC FIELD FO
Page 83 and 84: DETERMINATION OF AMINO ACIDS IN BOD
Page 85 and 86: MOLECULAR DYNAMICS OF TERT-BUTYL CH
Page 87 and 88: MR MICROSCOPY IN COMPARISON OF YOUN
Page 89 and 90: NH CH CH 2 NH CH CO COONa n CH 2 m
Page 91 and 92: 35 Cl-NQR STUDY OF MOLECULAR DYNAMI
Page 93: 35 Cl-NQR STUDY OF THE SUBSTITUENT
Page 97 and 98: 13 C CPMAS NMR OF ANTHOCYANINS AND
Page 99 and 100: INVESTIGATION OF TRANSESTERIFICATIO
Page 101 and 102: T 2 RELAXATION MAP OF ARTICULAR CAR
Page 103 and 104: MICROTOMOGRAPHY STUDIES OF TABLETS
Page 105 and 106: MAPPING OF THE BI-EXPONENTIAL DIFFU
Page 107 and 108: DEUTERIUM NMR IN RMn 2 D 2 (R = Y,
Page 109 and 110: The neutron scattering (IINS, QNS,
Page 111 and 112: STRUCTURE OF 4-QUINOLINONES ANALYSE
Page 113: NMR MULTIPOLE RELAXATION IN THE ROT
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