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1

X-ray, NMR and DFT studies of the complex of 1,4-dimethylpiperazine mono-betaine with p-hydroxybenzoic acid

Z. Dega-Szafran, A. Katrusiak, M. Szafran

Journal:

Journal of Molecular Structure

Year:

2006

Language:

english

File:

PDF, 276 KB

english, 2006

2

Diastereomeric complex of (R/S)-piperidine-3-carboxylic acid with (2R,3R)-tartaric acid: Structural, spectroscopic and computational studies

E. Bartoszak-Adamska, Z. Dega-Szafran, M. Jaskólski, M. Szafran

Journal:

Journal of Molecular Structure

Year:

2011

Language:

english

File:

PDF, 819 KB

english, 2011

3

Short and symmetrical OHO hydrogen bond in bis(quinuclidine betaine) hydrochloride

Z. Dega-Szafran, A. Katrusiak, M. Szafran

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 577 KB

english, 2010

4

UV, 1H and 13C NMR spectra, and AM1 studies of protonation of aminopyridines

Zofia Dega-Szafran, Anna Kania, Barbara Nowak-Wydra, Miroslaw Szafran

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 590 KB

english, 1994

5

Structure of 6-hydroxy-1-methylquinolinium chloride hydrate studied by X-ray, DFT calculations, FTIR and NMR spectroscopes

P. Barczyński, A. Komasa, M. Ratajczak-Sitarz, A. Katrusiak, J. Koput, Z. Dega-Szafran, M. Szafran

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 843 KB

english, 2010

6

Systematics in NH + ···N-Bonded Monosalts of 4,4′-Bipyridine (44′biPy) with Mineral Acids

Ratajczak-Sitarz, Małgorzata, Katrusiak, Andrzej, Dega-Szafran, Zofia, Stefański, Grzegorz

Journal:

Crystal Growth & Design

Year:

2013

Language:

english

File:

PDF, 3.39 MB

english, 2013

7

1H and 13C NMR spectra of betaines, >N+(CH2)nCOO−, and their hydrogen halides. Additivity rules for carbon-13 chemical shifts

Zofia Dega-Szafran, Ewa Dulewicz, Mirosław Szafran

Journal:

Magnetic Resonance in Chemistry

Year:

2000

Language:

english

File:

PDF, 86 KB

english, 2000

8

Nitrogen-15 NMR studies of hydrogen bonding and proton transfer in complexes of pyridine N-oxides with dichloroacetic acid in CDCl3

Zofia Dega-Szafran, Mirosław Szafran, Jerzy Sitkowski, Lech Stefaniak

Journal:

Journal of Physical Organic Chemistry

Year:

1996

Language:

english

File:

PDF, 387 KB

english, 1996

9

Deprotonation of 1-(carbethoxyalkyl)pyridinium halides with strong N-bases

Zofia Dega-Szafran, Grzegorz Schroeder, Mirosław Szafran

Journal:

Journal of Physical Organic Chemistry

Year:

1999

Language:

english

File:

PDF, 111 KB

english, 1999

10

ChemInform Abstract: Aqueous Basicity and Proton Affinity of Flexible Carboxybetaines, N+(CH2)nCOO- (I)—(III)

P. BARCZYNSKI, Z. DEGA-SZAFRAN, M. SZAFRAN

Journal:

Year:

1998

File:

PDF, 36 KB

1998

11

ChemInform Abstract: Electrostatic Interactions and Conformations of Zwitterionic Pyridinium Alkanoates.

M. SZAFRAN, Z. DEGA-SZAFRAN, A. KATRUSIAK, G. BUCZAK, T. GLOWIAK, J. SITKOWSKI, L. STEFANIAK

Journal:

Year:

1998

File:

PDF, 27 KB

1998

12

Nitrogen-15 nuclear magnetic resonance studies of hydrogen bonding and proton transfer in some pyridine trifluoroacetates in dichloromethane

Z. Dega-Szafran, M. Szafran, L. Stefaniak, C. Brevard, M. Bourdonneau

Journal:

Magnetic Resonance in Chemistry

Year:

1986

Language:

english

File:

PDF, 399 KB

english, 1986

13

Proton and carbon-13 NMR studies of 1-substituted pyridinium salts

Alan R. Katritzky, Zofia Dega-Szafran

Journal:

Magnetic Resonance in Chemistry

Year:

1989

Language:

english

File:

PDF, 282 KB

english, 1989

14

Reinvestigation of 1H and 13C NMR spectra of 1,8-bis(dimethylamino)naphthalene complexes with mineral acids

Zofia Dega-Szafran, Barbara Nowak-Wydra, Miroslaw Szafran

Journal:

Magnetic Resonance in Chemistry

Year:

1993

Language:

english

File:

PDF, 297 KB

english, 1993

15

1H NMR studies of solvent effects on hydrogen bonding in some pyridine trifluoroacetates

Zofia Dega-Szafran, Ewa Dulewicz

Journal:

Magnetic Resonance in Chemistry

Year:

1981

Language:

english

File:

PDF, 474 KB

english, 1981

16

Collisionally activated dissociation of some pyridinium cations: Novel fragmentation pathways

Alan R. Katritzky, Clifford H. Watson, Zofia Dega-Szafran, John R. Eyler

Journal:

Journal of Mass Spectrometry

Year:

1989

Language:

english

File:

PDF, 359 KB

english, 1989

17

Collisionally activated dissociation of 2,4,6-triphenylpyridinium cations

Alan R. Katritzky, N. Malhotra, Zofia Dega-Szafran, G. Paul Savage, John R. Eyler, Clifford H. Watson

Journal:

Journal of Mass Spectrometry

Year:

1992

Language:

english

File:

PDF, 443 KB

english, 1992

18

Ion cyclotron resonance mass spectrometric study of ion—molecule reactions in toluene—pyridine mixtures

Alan R. Katritzky, Zofia Dega-Szafran, Ragulan Ramanathan, John R. Eyler

Journal:

Journal of Mass Spectrometry

Year:

1994

Language:

english

File:

PDF, 496 KB

english, 1994

19

Hydrogen bonding in complexes of heterocyclic N-oxides with halogenoacetic acids

Z. Dega-Szafran, E. Grech, M.Z. Naskret-Barciszewska, M. Szafran

Journal:

Advances in Molecular Relaxation Processes

Year:

1973

Language:

english

File:

PDF, 464 KB

english, 1973

20

VPO and PMR studies of aggregation of lepidine N-oxide·Chloroacetic acid complex in solution

Zofia Dega-Szafran, Miroslaw Szafran

Journal:

Journal of Molecular Structure

Year:

1978

Language:

english

File:

PDF, 314 KB

english, 1978

21

IR and 1H NMR studies on the hydrogen bond in homoconjugated cations of some pyridine N-oxides in nitromethane and acetonitrile

M. Szafran, Z. Dega-Szafran

Journal:

Journal of Molecular Structure

Year:

1983

Language:

english

File:

PDF, 463 KB

english, 1983

22

Solvent effect on acid salt of dichloroacetic acid containing short and asymmetric OH…O bond

Z. Dega-Szafran, M. Szafran

Journal:

Journal of Molecular Structure

Year:

1986

Language:

english

File:

PDF, 242 KB

english, 1986

23

Interaction of 2,6-dimethylpyridine with chloroacetic acid in some aprotic solvents: problem of stoichiometry

Z. Dega-Szafran, E. Dulewicz, M. Szafran

Journal:

Journal of Molecular Structure

Year:

1988

Language:

english

File:

PDF, 339 KB

english, 1988

24

Evidence for single-minimum potentials for intramolecular hydrogen bonds of substituted picolinic acid N-oxides

Zofia Dega-Szafran, Monika Grundwald-Wyspiańska, Mirosław Szafran

Journal:

Journal of Molecular Structure

Year:

1992

Language:

english

File:

PDF, 412 KB

english, 1992

25

X-ray, FT-IR and PM3 studies of hydrogen bonds in complexes of some pyridines with trifluoroacetic acid

Zofia Dega-Szafran, Maria Gdaniec, Monika Grundwald-Wyspianska, Zofia Kosturkiewicz, Jacek Koput, Piotr Krzyzanowski, Miroslaw Szafran

Journal:

Journal of Molecular Structure

Year:

1992

Language:

english

File:

PDF, 1.62 MB

english, 1992

26

A critical review of the isotope effect in IR spectra

Miroslaw Szafran, Zofia Dega-Szafran

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 1.49 MB

english, 1994

27

Strong hydrogen bonds in 1:1 and 2:1 complexes of pyridine betaine with strong acids

Zofia Dega-Szafran, Maria Gdaniec, Monika Grundwald-Wyspiańska, Iwona Kowalczyk, Mirosław Szafran

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 859 KB

english, 1994

28

FT-IR, UV—visible and X-ray studies of complexes of pyridine N-oxides with pentachlorophenol

Zofia Dega-Szafran, Monika Grundwald-Wyspiańska, Anna Kania, Zofia Kosturkiewicz, Ewa Tykarska, Mirosław Szafran

Journal:

Journal of Molecular Structure

Year:

1995

Language:

english

File:

PDF, 858 KB

english, 1995

29

Differences between the N·H·O and O·H·O hydrogen bonds in complexes of 2,6-dichloro-4-nitrophenol with pyridines and pyridine N-oxides

Zofia Dega-Szafran, Anna Kania, Monika Grundwald-Wyspiańska, Mirosław Szafran, Ewa Tykarska

Journal:

Journal of Molecular Structure

Year:

1996

Language:

english

File:

PDF, 1.08 MB

english, 1996

30

Influence of excess base and solvents on hydrogen bond and proton transfer in complexes between dichloroacetic acid and substituted pyridines

Piotr Barczyński, Zopia Dega-Szafran, Mirosław Szafran

Journal:

Journal of Molecular Liquids

Year:

1987

Language:

english

File:

PDF, 694 KB

english, 1987

31

Concentration and solvent effects on the hydrogen bonded complex of quinoline with trifluoroacetic acid

Zofia Dega-Szafran, Ewa Dulewicz, Miroslaw Szafran

Journal:

Journal of Molecular Liquids

Year:

1991

Language:

english

File:

PDF, 385 KB

english, 1991

32

Crystal and molecular structure of the 2:1 complex of 1-piperidineacetic acid with perchloric acid

Z Dega-Szafran, M Petryna, M Szafran, E Tykarska

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 218 KB

english, 2004

33

Crystal and molecular structure of 1-piperidiniumacetic acid chloride studied by X-ray, B3LYP and PM3 calculations

Z Dega-Szafran, G Dutkiewicz, Z Kosturkiewicz, M Petryna, M Szafran

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 199 KB

english, 2004

34

Crystal and molecular structure of bis(N-methylpiperidine betaine) hydroiodide

Z. Dega-Szafran, M. Szafran, E. Dulewicz, A. Addlagatta, M. Jaskólski

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 255 KB

english, 2004

35

Spectroscopic studies of N-methylpiperidine betaine complexes with phenols

Z. Dega-Szafran, E. Dulewicz, M. Szafran

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 190 KB

english, 2004

36

Two non-equivalent complexes of 1-piperidineacetic acid with 2,4-dinitrophenol studied by X-ray diffraction, PM3 and SAM1 methods and FTIR

Z. Dega-Szafran, G. Dutkiewicz, Z. Kosturkiewicz, M. Petryna

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 296 KB

english, 2004

37

NMR studies of complexes of N-methylmorpholine betaine with some benzoic acids

Z. Dega-Szafran, M. Szafran, H. Szymusiak, R. Zieliński, M. Przedwojska

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 169 KB

english, 2005

38

Spectroscopic studies of 1-piperidineacetic acid complexes with phenols

Zofia Dega-Szafran, Magdalena Petryna

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 184 KB

english, 2005

39

Molecular structure of the complex of N-methylmorpholine betaine with 2,4-dinitrophenol

Z. Dega-Szafran, A. Katrusiak, M. Szafran

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 283 KB

english, 2005

40

B3LYP study of the conformers and rotamers of isostructural N-methylpiperidine betaine hydrochloride and (1-methylcyclohexyl)-acetic acid. The effect of electrostatic attraction on rotation barriers

M. Szafran, J. Koput, Z. Dega-Szafran

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 453 KB

english, 2005

41

X-ray and ab initio studies of the structure and vibrational spectra of 4-carboxy-1-methylpyridinium chloride

M. Szafran, J. Koput, Z. Dega-Szafran, A. Katrusiak

Journal:

Journal of Molecular Structure

Year:

2006

Language:

english

File:

PDF, 447 KB

english, 2006

42

Structure and properties of the 1:2 complex of 1,4-dicarboxymethyl-1,4-dimethylpiperazinium inner salt (di-betaine) with p-hydroxybenzoic acid studied by X-ray, DFT, FTIR and NMR methods

Z. Dega-Szafran, A. Katrusiak, M. Szafran

Journal:

Journal of Molecular Structure

Year:

2006

Language:

english

File:

PDF, 494 KB

english, 2006

43

Hydrogen bonds and electrostatic interactions in 1:1 and 2:1 complexes of homarine with mineral acids studied by NMR, FTIR, DFT and X-ray diffraction

M. Szafran, A. Katrusiak, Z. Dega-Szafran

Journal:

Journal of Molecular Structure

Year:

2007

Language:

english

File:

PDF, 869 KB

english, 2007

44

Structure, conformation and hydrogen bonding of 4-(N-methylpiperidinium)-butyric acid bromide

Z. Dega-Szafran, E. Dulewicz, M. Szafran, R. Thaimattam, M. Jaskolski

Journal:

Journal of Molecular Structure

Year:

2007

Language:

english

File:

PDF, 475 KB

english, 2007

45

Crystal and molecular structure, hydrogen bonding and electrostatic interactions of bis(homarine) hydrogen perchlorate studied by X-ray diffraction, DFT calculations, FTIR and Raman spectroscopies

M. Szafran, A. Katrusiak, Z. Dega-Szafran

Journal:

Journal of Molecular Structure

Year:

2007

Language:

english

File:

PDF, 577 KB

english, 2007

46

Molecular structure and spectroscopic properties of the complex of N-methylmorpholine betaine with 3,4-dinitrophenol

Z. Dega-Szafran, A. Katrusiak, M. Szafran

Journal:

Journal of Molecular Structure

Year:

2007

Language:

english

File:

PDF, 574 KB

english, 2007

47

X-ray, MP2 and DFT studies of the structure, vibrational and NMR spectra of homarine

M. Szafran, A. Katrusiak, J. Koput, Z. Dega-Szafran

Journal:

Journal of Molecular Structure

Year:

2007

Language:

english

File:

PDF, 1.05 MB

english, 2007

48

Structure of the 2:1 complex of 1-piperidineacetic acid and p-hydroxybenzoic acid studied by X-ray, FTIR, 1H, 13C NMR, and DFT methods

Z. Dega-Szafran, G. Dutkiewicz, Z. Kosturkiewicz, M. Szafran

Journal:

Journal of Molecular Structure

Year:

2007

Language:

english

File:

PDF, 1.43 MB

english, 2007

49

X-ray and ab initio studies of the structure, vibrational and NMR spectra of 1-methyl-3-hydroxypyridinium chloride

M. Szafran, A. Komasa, A. Katrusiak, Z. Dega-Szafran, P. Barczyński

Journal:

Journal of Molecular Structure

Year:

2007

Language:

english

File:

PDF, 441 KB

english, 2007

50

Structure of 1-methylpyridinium-4-carboxylate monohydrate studied by X-ray, FT-IR, Raman, NMR and ab initio methods

M. Szafran, E. Bartoszak-Adamska, J. Koput, Z. Dega-Szafran

Journal:

Journal of Molecular Structure

Year:

2007

Language:

english

File:

PDF, 642 KB

english, 2007

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