Optimization of a phosphine oxide disulfoxide array for multipoint hydrogen bonding to ammonium ions

1993 ◽  
Vol 115 (17) ◽  
pp. 7900-7901 ◽  
Author(s):  
Paul B. Savage ◽  
Steven K. Holmgren ◽  
Samuel H. Gellman
Keyword(s):  
Hydrogen Bonding ◽  
Phosphine Oxide ◽  
Ammonium Ions

Raman Spectra of Solid (NH4)2CrO4 and (ND4)2CrO4 Obtained by a Rotating Cell Technique

1976 ◽  
Vol 30 (2) ◽  
pp. 187-190 ◽  
Author(s):  
Robert L. Carter ◽  
L. Kevin O'Hare
Keyword(s):  
Hydrogen Bonding ◽  
Alkali Metal ◽  
Raman Spectra ◽  
Sampling Technique ◽  
Solid Sampling ◽  
Monoclinic Structure ◽  
Ammonium Ions ◽  
Cylindrical Cell ◽  
Sample Rotation ◽  
Rotation Technique

The Raman spectra of polycrystalline (NH4)2CrO4 and (ND4)2CrO4 have been obtained by a sample rotation technique where the uncompressed solid is contained in a glass cylindrical cell. The apparatus is a commerically available sample rotator for liquids, which was modified for the described solid sampling technique. The Raman spectra of (NH4)2CrO4 and (ND4)2CrO4 are discussed in relation to their uniquely monoclinic structure, in contrast to the β-K2SO4 structure found for (NH4)2SO4 and many alkali metal chromates and sulfates. The hydrogen bonding in (NH4)2CrO4 is described, and its role in determining both the structure and the Raman spectra is discussed. The data suggest a barrier to NH4+ rotation of approximately 3.70 kcal/mol, indicating that the ammonium ions are not freely rotating on the time scale of the Raman experiment (10−13 sec).

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.

scholarly journals Crystal structure of the tetrahydrofuran disolvate of a 94:6 solid solution of [N2,N6-bis(di-tert-butylphosphanyl)pyridine-2,6-diamine]dibromidomanganese(II) and its monophosphine oxide analogue

2017 ◽  
Vol 73 (9) ◽  
pp. 1308-1311 ◽  
Author(s):  
Markus Rotter ◽  
Matthias Mastalir ◽  
Mathias Glatz ◽  
Berthold Stöger ◽  
Karl Kirchner
Keyword(s):  
Crystal Structure ◽  
Solid Solution ◽  
Hydrogen Bonding ◽  
Phosphine Oxide

The MnBr2complex ofN2,N6-bis(di-tert-butylphosphanyl)pyridine-2,6-diamine (1·MnBr2) co-crystallizes with 5.69% of the monophosphine oxide analogue (1O·MnBr2) and two tetrahydrofuran (THF) molecules, namely [N2,N6-bis(di-tert-butylphosphanyl)pyridine-2,6-diamine]dibromidomanganese(II)–[bis(di-tert-butylphosphanyl)({6-[(di-tert-butylphosphanyl)amino]pyridin-2-yl}amino)phosphine oxide]dibromidomanganese(II)–tetrahydrofuran (0.94/0.06/2), [MnBr2(C21H41N3P2)]0.94[MnBr2(C21H41N3OP2)]0.06·2C4H8O. The1·MnBr2and1O·MnBr2complexes are occupationally disordered about general positions. Both complexes feature square-pyramidal coordination of the MnIIatoms. They are connected by weak N—H...Br hydrogen bonding into chains extending along [001]. The THF molecules are located between the layers formed by these chains. One THF molecule is involved in hydrogen bonding to an amine H atom.

Hydrogen-bonding-induced oligoanthranilamide foldamers. Synthesis, characterization, and complexation for aliphatic ammonium ions

Tetrahedron ◽  
2005 ◽  
Vol 61 (33) ◽  
pp. 7974-7980 ◽  
Author(s):  
Hui-Ping Yi ◽  
Chuang Li ◽  
Jun-Li Hou ◽  
Xi-Kui Jiang ◽  
Zhan-Ting Li
Keyword(s):  
Hydrogen Bonding ◽  
Ammonium Ions

Switching between halogen- and hydrogen-bonding in stoichiometric variations of a cocrystal of a phosphine oxide

CrystEngComm ◽  
2012 ◽  
Vol 14 (19) ◽  
pp. 6110 ◽  
Author(s):  
Se Ye Oh ◽  
Christopher W. Nickels ◽  
Felipe Garcia ◽  
William Jones ◽  
Tomislav Friščić
Keyword(s):  
Hydrogen Bonding ◽  
Phosphine Oxide

Hydrogen-Bonding-Mediated Dynamic Covalent Synthesis of Macrocycles and Capsules: New Receptors for Aliphatic Ammonium Ions and the Formation of Pseudo[3]rotaxanes

2009 ◽  
Vol 15 (23) ◽  
pp. 5763-5774 ◽  
Author(s):  
Xiao-Na Xu ◽  
Lu Wang ◽  
Gui-Tao Wang ◽  
Jian-Bin Lin ◽  
Guang-Yu Li ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Ammonium Ions

The Preparation and Crystal Structure of the Bismuth(III) Catecholate Complex Adduct (NH4)2[Bi2(C6H4O2)4].(C6H6O2)2.2H2O

1994 ◽  
Vol 47 (7) ◽  
pp. 1413 ◽  
Author(s):  
G Smith ◽  
AN Reddy ◽  
KA Byriel ◽  
CHL Kennard
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Complex Anion ◽  
X Ray Diffraction ◽  
Ammonium Ions ◽  
Centrosymmetric Dimer ◽  
X Ray ◽  
Catecholate Complex

(NH4)2[Bi2(C6H4O2)4].(C6H6O2)2.2H2O, a bismuth(III)-catechol complex adduct, has been prepared and its structure determined by X-ray diffraction methods. The complex anion is a centrosymmetric dimer comprising two five-coordinate [ bis ( catecholato (2-)) bismuthate (III)] centres [Bi-O, 2.177(4), 2.222(4) Ǻ and 2.150(3), 2.322(4)Ǻ], bridged by one of the catechol oxygens [Bi-O, 2.653(3)Ǻ]. In addition, the structure is stabilized by hydrogen bonding involving the ammonium ions, the lattice waters and the two adduct catechol molecules.

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