Dedicated o Professors Krzyszof Pigoń' Józef W. Rohleder and Zdzisław Ruziewicz on the occasion o... more Dedicated o Professors Krzyszof Pigoń' Józef W. Rohleder and Zdzisław Ruziewicz on the occasion of their 70th birthdays* 2,4,6-trimethylpyridinium 2,6-dichloro-4-nitrophenolate crystallizes in monoclinic system, space group Ρ21/c, a = 7.534(2), b = 26.673(5), c = 8.452(2) A, ,0 = 116.16(3) 0 , Z = 4. The planar molecules are arranged in the lattice as antiparallel oriented pairs with the symmetry centre. The O-• • •Η-Ν+ hydrogen bonds are relatively long, 2.686(4) A. The CO bond length, 1.250(4) A, indicates an extended charge separation. The IR and UV-VIS spectra in KBr pellets confirm the ioii pairs to be present in the solid state.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
On a etudie les spectres d'absorption dans l'ultraviolet d'une fine couche polycrysta... more On a etudie les spectres d'absorption dans l'ultraviolet d'une fine couche polycrystalline des complexes du pentachlorophenol avec amines tertiaires. On a etabli une correlation entre ΔpK a d'une part et, d'autre part la position du maximum de la bande d'absorption situee aux grandes longueurs d'onde, ainsi qu'on a constate une autre correlation de ΔpK a - avec la mi-largeur de cette bande. Dans la region d'inversion (critique), ou il y a un transfert du proton, l'absorption observee a ete attribuee a une liaison hydrogene, qui se presente sous deux formes: soit sans transfert du proton (HB), soit avec le transfert (PT). Les resultats qu'on presente ici, ainsi que ceux publies auparavant, semblent indiquer l'existence d'un large et asymetrique (avec un epaulement) minimum du potentiel decrivant le mouvement du proton (cet epaulement serait situe tout pres de du plus bas niveau de vibratoire)
Inelastic neutron scattering (INS) infrared (IR) and Raman (R) spectra in the region below 1700 c... more Inelastic neutron scattering (INS) infrared (IR) and Raman (R) spectra in the region below 1700 cm À1 of solid 1,4benzoquinone (p-BQ) are compared with calculated frequencies and intensities for the gas phase. In the case of INS spectra a very good agreement is found when the frequency scaling factor markedly higher than unity (1.05) is assumed. This is most probably due to the fact that in the solid state all hydrogen and oxygen atoms are involved in the C±H Á Á Á O hydrogen bond formation. The internal dynamics of p-BQ molecules re¯ected in the low frequency region is to a marked extent aected by these interactions. The environment eect is best re¯ected in the INS spectra recorded at 22 K. The complementarity of INS, IR and R spectra, appearance of overtones and summation modes and overlapping of closely located bands are discussed.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
Dedicated o Professors Krzyszof Pigoń' Józef W. Rohleder and Zdzisław Ruziewicz on the occasion o... more Dedicated o Professors Krzyszof Pigoń' Józef W. Rohleder and Zdzisław Ruziewicz on the occasion of their 70th birthdays* 2,4,6-trimethylpyridinium 2,6-dichloro-4-nitrophenolate crystallizes in monoclinic system, space group Ρ21/c, a = 7.534(2), b = 26.673(5), c = 8.452(2) A, ,0 = 116.16(3) 0 , Z = 4. The planar molecules are arranged in the lattice as antiparallel oriented pairs with the symmetry centre. The O-• • •Η-Ν+ hydrogen bonds are relatively long, 2.686(4) A. The CO bond length, 1.250(4) A, indicates an extended charge separation. The IR and UV-VIS spectra in KBr pellets confirm the ioii pairs to be present in the solid state.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
On a etudie les spectres d'absorption dans l'ultraviolet d'une fine couche polycrysta... more On a etudie les spectres d'absorption dans l'ultraviolet d'une fine couche polycrystalline des complexes du pentachlorophenol avec amines tertiaires. On a etabli une correlation entre ΔpK a d'une part et, d'autre part la position du maximum de la bande d'absorption situee aux grandes longueurs d'onde, ainsi qu'on a constate une autre correlation de ΔpK a - avec la mi-largeur de cette bande. Dans la region d'inversion (critique), ou il y a un transfert du proton, l'absorption observee a ete attribuee a une liaison hydrogene, qui se presente sous deux formes: soit sans transfert du proton (HB), soit avec le transfert (PT). Les resultats qu'on presente ici, ainsi que ceux publies auparavant, semblent indiquer l'existence d'un large et asymetrique (avec un epaulement) minimum du potentiel decrivant le mouvement du proton (cet epaulement serait situe tout pres de du plus bas niveau de vibratoire)
Inelastic neutron scattering (INS) infrared (IR) and Raman (R) spectra in the region below 1700 c... more Inelastic neutron scattering (INS) infrared (IR) and Raman (R) spectra in the region below 1700 cm À1 of solid 1,4benzoquinone (p-BQ) are compared with calculated frequencies and intensities for the gas phase. In the case of INS spectra a very good agreement is found when the frequency scaling factor markedly higher than unity (1.05) is assumed. This is most probably due to the fact that in the solid state all hydrogen and oxygen atoms are involved in the C±H Á Á Á O hydrogen bond formation. The internal dynamics of p-BQ molecules re¯ected in the low frequency region is to a marked extent aected by these interactions. The environment eect is best re¯ected in the INS spectra recorded at 22 K. The complementarity of INS, IR and R spectra, appearance of overtones and summation modes and overlapping of closely located bands are discussed.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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