Characterization of a new non-centrosymmetric polymorph of diphenyl-1,3,4-oxadiazole

Franco, Olga; Reck, G.; Orgzall, I.; Schulz, Burkhard

doi:10.1016/s0022-2860(02)00569-0

Cited by 25 publications

(35 citation statements)

References 11 publications

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“…The results suggest that the three molecules may be modeled as being composed of two different structural units, a diphenyl-oxadiazole moiety and a diphenyl moiety, where both different units retain their specific properties in relation to the molecular conformation. The interring bond lengths of the oxadiazole-phenyl unit of I and II with roughly 1.45 Å correspond very well to the corresponding bond lengths in DPO [66] or other especially para substituted diphenyl-oxadiazole compounds. These bonds are slightly longer for those molecules with ortho substitution pattern and therefore strong molecular twist.…”

Section: Tablesupporting

confidence: 66%

“…2-(2,6-dimethylphenyl)-5-phenyl-1,3,4-oxadiazole (MP-OXA) and 2-[2,6-di(trifluoromethyl)phenyl]-5-phenyl-1,3,4-oxadiazole (TF-OXA). The unsubstituted DPO molecules show a very small torsion angle between 1°and 2°for a first polymorphic form (P2 1 /c) [66]. This angle increases slightly in a second polymorph (Cc) to values between 2°and 11°for the six molecules of the asymmetric unit.…”

Section: Tablementioning

confidence: 97%

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Ordering the amorphous – Structures in PBD LED materials

Emmerling

Orgzall

Dietzel

et al. 2012

Journal of Molecular Structure

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Section: Tablesupporting

confidence: 66%

Section: Tablementioning

confidence: 97%

Ordering the amorphous – Structures in PBD LED materials

Emmerling

Orgzall

Dietzel

et al. 2012

Journal of Molecular Structure

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“…At this point, a sublimation‐driven triboluminescence‐like charge separation process still seems to be the best mechanistic explanation for self‐ionizing matrices. A number of self‐ionizing matrices have been found to have triboluminescence properties when a solid, including 3‐NBN, coumarins, carbazoles, frozen water and frozen methanol …”

Section: Fundamentals and Mechanistic Aspectsmentioning

confidence: 99%

Novel ionization processes for use in mass spectrometry: ‘Squeezing’ nonvolatile analyte ions from crystals and droplets

Trimpin

2019

Rapid Comm Mass Spectrometry

110

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Together with my group and collaborators, I have been fortunate to have had a key role in the discovery of new ionization processes that we developed into new flexible, sensitive, rapid, reliable, and robust ionization technologies and methods for use in mass spectrometry (MS). Our current research is focused on how best to understand, improve, and use these novel ionization processes which convert volatile and nonvolatile compounds from solids or liquids into gas-phase ions for analysis by MS using e.g. mass selected fragmentation and ion mobility spectrometry to provide reproducible, accurate, and improved mass and drift time resolution. In my view, the apex was the discovery of vacuum matrix-assisted ionization (vMAI) in 2012 on an intermediate pressure matrix-assisted laser desorption/ionization (MALDI) source without the use of a laser, high voltages, or any other added energy. Only exposure of the matrix:analyte to the sub-atmospheric pressure of the mass spectrometer was necessary to initiate ionization. These findings were initially rejected by three different scientific journals, with comments related to 'how can this work?', 'where do the charges come from?', and 'it is not analytically useful'. Meanwhile, we, and others have demonstrated analytical utility without a complete understanding of the mechanism. In reality, MALDI and electrospray ionization are widely used in science and their mechanisms are still controversially discussed despite use and optimization of now 30 years. This Perspective covers applications, and mechanistic aspects of the novel ionization processes for use in MS that guided us in instrument developments, and provides our perspective on how they relate to traditional ionization processes.

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“…Similarly large twist angles are observed in related compounds featuring bulky aromatic substituents in the ortho-positions of the core-benzenes, like in the bis-ortho-phenyloxazolin substituted analogue [4]. In sterically unhindered molecules, the 2,5-diphenyl-1,3,4-oxadiazole core in solid state is often close to planar, as for example in the unsubstituted molecule [9].…”

Section: Molecular Structurementioning

confidence: 66%

The pseudo-inversion symmetry of 9,90′ (1,3,4-oxadiazole-2,5-diyldi(1,1′-biphenyl)-2′,4- diyl)bis[9H-carbazole] in the light of OD theory

Stöger

Zobetz

Kautny

et al. 2014

Zeitschrift Für Kristallographie - Crystalline Materials

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The pseudo-inversion symmetry of 9,9 0 -(1,3,4-oxadiazole-2,5-diyldi(1,1 0 -biphenyl)-2 0 ,4-diyl)bis [9H-carbazole] in the light of OD theory Abstract: The crystal structure of 9,9 0 -(1,3,4-oxadiazole-2,5-diyldi(1,1 0 -biphenyl)-2 0 ,4-diyl)bis[9H-carbazole] [Pna2 1 , Z ¼ 4, a ¼ 17:9874ð4Þ Å, b ¼ 9:2989ð8Þ Å, c ¼ 21:5822ð9Þ Å, R obs ¼ 0:0395, 9239 F data, 496 parameters] features a pseudo-centre of inversion strictly valid only for isolated layers of the structure. It is an order-disorder (OD) structure made up of one kind of non-polar layers composed of (I) molecules connected to polar layer pairs. The major polytype is of a maximum degree of order. The magnitude of the intrinsic translation vectors of the glides and screws relating adjacent layers is a convenient quantification of the deviation from perfect centrosymmetry.

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Characterization of a new non-centrosymmetric polymorph of diphenyl-1,3,4-oxadiazole

Cited by 25 publications

References 11 publications

Ordering the amorphous – Structures in PBD LED materials

Ordering the amorphous – Structures in PBD LED materials

Novel ionization processes for use in mass spectrometry: ‘Squeezing’ nonvolatile analyte ions from crystals and droplets

The pseudo-inversion symmetry of 9,90′ (1,3,4-oxadiazole-2,5-diyldi(1,1′-biphenyl)-2′,4- diyl)bis[9H-carbazole] in the light of OD theory

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