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51

Structure of complex of N-methylpiperidine betaine with p-hydroxybenzoic acid studied by X-ray, FT-IR and DFT methods

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

Journal:

Journal of Molecular Structure

Year:

2008

Language:

english

File:

PDF, 383 KB

english, 2008

52

N,N′-Dimethylpiperazine mono-betaine complex with two molecules of 3-iodobenzoic acid and water studied by X-ray diffraction, DFT, FTIR and NMR methods

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

Journal:

Journal of Molecular Structure

Year:

2008

Language:

english

File:

PDF, 758 KB

english, 2008

53

Crystal and molecular structure, hydrogen bond and electrostatic interactions of bis(1-methylisonicotinate)hydrogen perchlorate studied by X-ray diffraction, DFT calculations, FT-IR, Raman and NMR spectroscopes

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

Journal:

Journal of Molecular Structure

Year:

2008

Language:

english

File:

PDF, 482 KB

english, 2008

54

Structure and vibrational spectra of 1,4-dimethylpiperazine di-betaine dihydrate

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

Journal:

Journal of Molecular Structure

Year:

2008

Language:

english

File:

PDF, 340 KB

english, 2008

55

DFT, FTIR, Raman and NMR study of 1-methyl-8-oxyquinolinium betaine

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

Journal:

Journal of Molecular Structure

Year:

2008

Language:

english

File:

PDF, 303 KB

english, 2008

56

Molecular structure, hydrogen bonding and spectroscopic properties of the complex of piperidine-4-carboxylic acid with chloroacetic acid

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

Journal:

Journal of Molecular Structure

Year:

2008

Language:

english

File:

PDF, 464 KB

english, 2008

57

Structure of co-crystal of N-methylpiperidine betaine–l(+)-tartaric acid

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

Journal:

Journal of Molecular Structure

Year:

2008

Language:

english

File:

PDF, 402 KB

english, 2008

58

Structural and spectroscopic studies of the 1:1 complex of meso-tartaric acid with 1,4-dimethylpiperazine di-betaine

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

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 572 KB

english, 2009

59

Crystal structure and spectroscopic properties of the 1:1 complex of pyridine betaine with p-hydroxybenzoic acid

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

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 568 KB

english, 2009

60

Structure of an inclusive compound of bis(piperidinium-4-carboxylate)hydrogen semi-tartrate with water and methanol studied by X-ray diffraction, NMR, FTIR and DFT methods

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

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 976 KB

english, 2009

61

Crystal and molecular structure of quinuclidine betaine hydrochloride studied by X-ray diffraction, DFT, FTIR, and NMR methods

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

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 556 KB

english, 2009

62

DABCO mono-betaine hydrate studied by X-ray diffraction, DFT calculations and spectroscopic methods

P. Barczyński, Z. Dega-Szafran, A. Katrusiak, W. Perdoch, M. Szafran

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 562 KB

english, 2009

63

Molecular structure and spectroscopic properties of the 1:1 complex of quinuclidine betaine with l-tartaric acid

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

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 745 KB

english, 2009

64

1-Carboxyethylpyridinium-4-carboxylate inner salt studied by X-ray diffraction, DFT calculations, vibrational and NMR spectroscopy

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

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 855 KB

english, 2009

65

Interactions of water molecule in 2-(quinuclidinium)-propionic acid bromide hydrate

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

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 701 KB

english, 2010

66

Hydrogen bonding and molecular association in 2-(quinuclidinium)-butyric acid bromide hydrate studied by X-ray diffraction, DFT calculations, FTIR and NMR spectroscopy, and potentiometric titration

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

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 720 KB

english, 2010

67

Very short OHO hydrogen bond in bis(2-quinuclidinium-propionate) hydrobromide

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

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 536 KB

english, 2010

68

Structural, spectroscopic and theoretical studies of short OHO hydrogen bonds in 2:1 complexes of 1-methyl-6-oxyquinolinium betaine with mineral acids

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

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 652 KB

english, 2010

69

Unusual molecular structure of the 1:2.5:2 complex of DABCO di-betaine (1,4-diacetate-1,4-diazoniumbicyclo[2.2.2]octane) with p-hydroxybenzoic acid and water

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

Journal:

Journal of Molecular Structure

Year:

2011

Language:

english

File:

PDF, 948 KB

english, 2011

70

Molecular structure of the 1:2 complex of 2-quinuclidinium-butyrate with p-hydroxybenzoic acid

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

Journal:

Journal of Molecular Structure

Year:

2011

Language:

english

File:

PDF, 769 KB

english, 2011

71

The structure of 4-(trimethylammonium)benzoic acid chloride studied by X-ray diffraction, DFT calculations, NMR and FTIR spectroscopy

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

Journal:

Journal of Molecular Structure

Year:

2011

Language:

english

File:

PDF, 1.01 MB

english, 2011

72

The 1:2:1 adduct of DABCO dication, hydrogen squarate and water molecules studied by X-ray diffraction and FTIR spectroscopy

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

Journal:

Journal of Molecular Structure

Year:

2011

Language:

english

File:

PDF, 708 KB

english, 2011

73

OH⋯O and OH⋯N hydrogen bonds in the complex of DABCO mono-betaine with p-hydroxybenzoic acid studied by X-ray diffraction, DFT calculations and spectroscopic methods

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

Journal:

Journal of Molecular Structure

Year:

2011

Language:

english

File:

PDF, 778 KB

english, 2011

74

IR and PMR studies of proton transfer in complexes of 4-R-pyridine N-oxides with trifluoroacetic acid in solutions

B. Brycki, Z. Dega-Szafran, M. Szafran

Journal:

Advances in Molecular Relaxation and Interaction Processes

Year:

1979

Language:

english

File:

PDF, 479 KB

english, 1979

75

Dipolar association of complexes of some pyridines with trifluoroacetic acid in benzene at 27°C

Z. Dega-Szafran

Journal:

Advances in Molecular Relaxation and Interaction Processes

Year:

1980

Language:

english

File:

PDF, 439 KB

english, 1980

76

Deuterium isotope effect in the IR spectra of some pyridine trifluoroacetates in benzene

Z. Dega-Szafran, E. Dulewicz

Journal:

Advances in Molecular Relaxation and Interaction Processes

Year:

1981

Language:

english

File:

PDF, 446 KB

english, 1981

77

Investigation of B ⋯ HA ⇌ B+H ⋯ A− equilibrium in complexes of trifluoroacetic acid with pyridines in dichloromethane by second derivative infrared spectroscopy

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

Journal:

Spectrochimica Acta Part A: Molecular Spectroscopy

Year:

1991

Language:

english

File:

PDF, 530 KB

english, 1991

78

Evidence for a single minimum potential for hydrogen bonds of pyridine N-oxide complexes with dichloroacetic acid in dichloromethane

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

Journal:

Spectrochimica Acta Part A: Molecular Spectroscopy

Year:

1991

Language:

english

File:

PDF, 464 KB

english, 1991

79

Calorimetric and molecular modeling studies of N-alkoxycarbonylmethyl-N-alkyl-piperidinium chlorides

Bożenna Różycka-Roszak, Paweł Misiak, Edyta Woźniak, Anna Mozrzymas, Zofia Dega-Szafran

Journal:

Colloids and Surfaces A: Physicochemical and Engineering Aspects

Year:

2008

Language:

english

File:

PDF, 456 KB

english, 2008

80

Crystal and molecular structure, hydrogen bonding and electrostatic interactions of bis(pyridine betaine) perchlorate

M Szafran, A Katrusiak, I Kowalczyk, Z Dega-Szafran, M Drozd

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 273 KB

english, 2004

81

X-Ray, MP2 and DFT studies of the structure and vibrational spectra of homarinium chloride

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

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 346 KB

english, 2004

82

Spectroscopic and structural properties of some N-(2-hydroxyethyl)-morpholine derivatives

Z Dega-Szafran, M Szafran, A Katrusiak

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 279 KB

english, 2004

83

Crystal and molecular structure, hydrogen bonding and electrostatic interactions of bis(trigonelline) hydrogen perchlorate monohydrate

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

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 222 KB

english, 2004

84

Crystal and molecular structure of N-methylpiperidine betaine hydrofluoride

M. Szafran, Z. Dega-Szafran, R. Thaimattam, M. Jaskólski

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 200 KB

english, 2004

85

Molecular structure of the unusual complex of 1-piperidineacetic acid with 2,4,6-trinitrophenol studied by X-ray, FTIR and 1H, 13C and 13C CP MAS NMR

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

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 191 KB

english, 2004

86

The influence of halide anions on the molecular structure of bis(N-methylpiperidine betaine) monocation with short hydrogen bond

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

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 280 KB

english, 2005

87

Structures of pyrido[1,2a]pyrazinium and pyrido[1,2c][1,4]oxazinium bromides studied by 1H, 13C and 15N NMR, FTIR, X-ray and DFT methods

M. Szafran, B. Nowak-Wydra, M. Jaskólski, E. Bartoszak-Adamska, A. Szwajca, Z. Dega-Szafran

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 455 KB

english, 2005

88

Crystal and molecular structure of the 1:1 complex of 1-piperidineacetic acid with 2,6-dichloro-4-nitrophenol studied by X-ray diffraction and B3LYP calculation

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

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 255 KB

english, 2005

89

Two polymorphs of 4-hydroxy-1-methylpiperidine betaine hydrochloride studied by X-ray and DFT methods

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

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 464 KB

english, 2005

90

Conformational analysis of bis(trigonelline) hydrochloride, perchlorate and their monohydrates by the B3LYP calculations, X-ray diffraction and vibrational spectra

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

Journal:

Journal of Molecular Structure

Year:

2006

Language:

english

File:

PDF, 460 KB

english, 2006

91

Structure of 3-hydroxy-3-phenyl-pyrido[2,1-c][1,4]dihydrooxazinium bromide studied by X-ray, FTIR, 1H, 13C and 15N NMR, and DFT methods

Mirosław Szafran, Barbara Nowak-Wydra, Andrzej Katrusiak, Zofia Dega-Szafran

Journal:

Journal of Molecular Structure

Year:

2006

Language:

english

File:

PDF, 669 KB

english, 2006

92

NMR study of 4-hydroxy-1-methylpiperidine betaine derivatives

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

Journal:

Journal of Molecular Structure

Year:

2006

Language:

english

File:

PDF, 196 KB

english, 2006

93

Hydrogen bonds and conformational analysis of bis(1-methylisonicotinate) hydrochloride monohydrate by X-ray diffraction, vibrational spectra and B3LYP calculations

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

Journal:

Journal of Molecular Structure

Year:

2006

Language:

english

File:

PDF, 435 KB

english, 2006

94

Cocrystals of bis(4-hydroxy-1-methylpiperidine betaine) hydrochloride

Z. Dega-Szafran, E. Dulewicz, G. Dutkiewicz, Z. Kosturkiewicz

Journal:

Journal of Molecular Structure

Year:

2006

Language:

english

File:

PDF, 384 KB

english, 2006

95

Molecular structure, hydrogen bonding, basicity and spectroscopic properties of 3-hydroxypyridine betaine hydrochloride monohydrate

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

Journal:

Journal of Molecular Structure

Year:

2007

Language:

english

File:

PDF, 839 KB

english, 2007

96

The O–H···O, O–H···N and C–H···O hydrogen bonds in 1,4-dimethylpiperazine mono-betaine monohydrate

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

Journal:

Journal of Molecular Structure

Year:

2008

Language:

english

File:

PDF, 468 KB

english, 2008

97

Theoretical and experimental study of vibrational spectra of two polymorphic 4-hydroxy-1-methylpiperidine betaine hydrochlorides

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

Journal:

Journal of Molecular Structure

Year:

2008

Language:

english

File:

PDF, 289 KB

english, 2008

98

Experimental and theoretical studies of 4-hydroxy-1-methylpiperidinium perchlorate

Zofia Dega-Szafran, Andrzej Katrusiak, Mirosław Szafran

Journal:

Journal of Molecular Structure

Year:

2008

Language:

english

File:

PDF, 446 KB

english, 2008

99

Molecular structure of 1:1 complex of 1,4-dimethylpiperazine di-betaine with l-tartaric acid studied by X-ray diffraction, FTIR, Raman and NMR spectroscopy and DFT calculations

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

Journal:

Journal of Molecular Structure

Year:

2008

Language:

english

File:

PDF, 545 KB

english, 2008

100

Ring inversion in 4-hydroxy-1-methylpiperidine betaine studied by X-ray, FTIR, 13C CP MAS NMR and DFT calculations

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

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 492 KB

english, 2009

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