ChemInform Abstract: AXIAL PREFERENCE OF 2-(1,3-DITHIANYL)DIPHENYLPHOSPHINE OXIDE. A STRONG S-C-P ANOMERIC INTERACTION

1983 ◽  
Vol 14 (22) ◽  
Author(s):  
E. JUARISTI ◽  
L. VALLE ◽  
C. MORA-UZETA ◽  
B. A. VALENZUELA ◽  
P. JOSEPH-NATHAN ◽  
...  
Keyword(s):  
Diphenylphosphine Oxide

scholarly journals Theoretical Study of the Structures of 4-(2,3,5,6-Tetrafluoropyridyl)Diphenylphosphine Oxide and Tris(Pentafluorophenyl)Phosphine Oxide: Why Does the Crystal Structure of (Tetrafluoropyridyl)Diphenylphosphine Oxide Have Two Different P=O Bond Lengths?

Molecules ◽  
2020 ◽  
Vol 25 (12) ◽  
pp. 2778
Author(s):  
Joseph R. Lane ◽  
Graham C. Saunders
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Phosphine Oxide ◽  
Density Functional ◽  
Lone Pair ◽  
Diphenylphosphine Oxide ◽  
Functional Theory ◽  
Weak Hydrogen Bonding ◽  
Independent Molecules ◽  
The Difference

The crystal structure of 4-(2,3,5,6-tetrafluoropyridyl)diphenylphosphine oxide (1) contains two independent molecules in the asymmetric unit. Although the molecules are virtually identical in all other aspects, the P=O bond distances differ by ca. 0.02 Å. In contrast, although tris(pentafluorophenyl)phosphine oxide (2) has a similar crystal structure, the P=O bond distances of the two independent molecules are identical. To investigate the reason for the difference, a density functional theory study was undertaken. Both structures comprise chains of molecules. The attraction between molecules of 1, which comprises lone pair–π, weak hydrogen bonding and C–H∙∙∙arene interactions, has energies of 70 and 71 kJ mol−1. The attraction between molecules of 2 comprises two lone pair–π interactions, and has energies of 99 and 100 kJ mol−1. There is weak hydrogen bonding between molecules of adjacent chains involving the oxygen atom of 1. For one molecule, this interaction is with a symmetry independent molecule, whereas for the other, it also occurs with a symmetry related molecule. This provides a reason for the difference in P=O distance. This interaction is not possible for 2, and so there is no difference between the P=O distances of 2.

Tuning peripheral group density in ternary phosphine oxide hosts for low-voltage-driven yellow PhOLEDs

2015 ◽  
Vol 3 (26) ◽  
pp. 6709-6716 ◽  
Author(s):  
Jing Li ◽  
Zhensong Zhang ◽  
Chunmiao Han ◽  
Dongxue Ding ◽  
Yi Zhao ◽  
...  
Keyword(s):  
Phosphine Oxide ◽  
Light Emitting Diodes ◽  
Low Voltage ◽  
Organic Light Emitting Diodes ◽  
Diphenylphosphine Oxide ◽  
Light Emitting ◽  
Organic Light ◽  
Host Materials ◽  
Group Density

Fluorene and diphenylphosphine oxide were employed as peripheral groups to construct ternary host materials DBFxPODEFn with benzofuran as a core, which realized the low-voltage-driven efficient yellow phosphorescence organic light-emitting diodes.

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