Weak Hydrogen Bonding Can Initiate Alkane C−H Bond Activation in Acidic Zeolites

2006 ◽  
Vol 110 (42) ◽  
pp. 20762-20764 ◽  
Author(s):  
Laura S. Sremaniak ◽  
Jerry L. Whitten ◽  
Matthew J. Truitt ◽  
Jeffery L. White
Keyword(s):  
Hydrogen Bonding ◽  
Bond Activation ◽  
Weak Hydrogen Bonding ◽  
Acidic Zeolites

scholarly journals Effects of alkanolamine solvents on the aggregation states of reactive dyes in concentrated solutions and the properties of the solutions

RSC Advances ◽  
2021 ◽  
Vol 11 (18) ◽  
pp. 10929-10934
Author(s):  
Chuangui Cao ◽  
Zhihui Zhao ◽  
Yong Qi ◽  
Hui Peng ◽  
Kuanjun Fang ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Steric Hindrance ◽  
Reactive Dyes ◽  
Concentrated Solutions ◽  
Weak Hydrogen Bonding ◽  
Dye Aggregation

The solvent, DEA, reduces the dye aggregation that may be caused by the weak hydrogen bonding and relatively smaller steric hindrance effect.

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.

Self-assembly of 2,6-dimethylpyridine on Cu(110) directed by weak hydrogen bonding

2007 ◽  
Vol 601 (16) ◽  
pp. L91-L94 ◽  
Author(s):  
Junseok Lee ◽  
Daniel B. Dougherty ◽  
John T. Yates
Keyword(s):  
Hydrogen Bonding ◽  
Self Assembly ◽  
Weak Hydrogen Bonding

Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones

CrystEngComm ◽  
2015 ◽  
Vol 17 (16) ◽  
pp. 3089-3102 ◽  
Author(s):  
J. L. Ferreira da Silva ◽  
Shrika G. Harjivan ◽  
André P. Ferreira ◽  
Karina Shimizu ◽  
M. Matilde Marques ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Packing ◽  
Relative Positioning ◽  
Effect Of Substituents ◽  
Supramolecular Architectures ◽  
Weak Hydrogen Bonding

Relative positioning of substituents in a molecule is determinant in crystal packing of 1-ferrocenyl-2-(aryl)thioethanone derivatives displaying weak hydrogen bonding ability.

scholarly journals Poly[tetrakis(μ-1,1,1,3,3,3-hexafluoropropan-2-olato)iron(II)dipotassium]

2014 ◽  
Vol 70 (2) ◽  
pp. m32-m33 ◽  
Author(s):  
Andrew P. Purdy ◽  
Ray J. Butcher
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
Three Dimensional ◽  
The Other ◽  
Tetrahedral Coordination ◽  
Compound K ◽  
Coordination Environment ◽  
Weak Hydrogen Bonding ◽  
Alternating Chain ◽  
Distorted Tetrahedral Coordination

The title compound, [K2Fe{OCH(CF3)2}4]n, was formed from the reaction of potassium hexafluoroisopropoxide with iron(II) chloride in toluene. The FeIIatom has a highly distorted tetrahedral coordination environment. All four of the non-equivalent hexafluoroisopropoxy O atoms link the FeIIatoms to one of the K+atoms in an alternating chain of Fe—O—K—O fused four-membered rings, with K—Fe distances of 3.715 (2) and 3.717 (2) Å. This K+atom is also bridged to eight of the F atoms. The other K+atom is bonded to only two of the O atoms, but has seven short K...F contacts, one of which links the chains into a three-dimensional arrangement. Weak hydrogen bonding between the lone H atoms on the hexafluoroisopropoxy groups and F atoms is also present. The crystal studied was refined as an inversion twin.

scholarly journals 4-Difluoromethyl-1-(4-methylphenyl)-1H-1,2,3-triazole

2006 ◽  
Vol 62 (5) ◽  
pp. o1925-o1927 ◽  
Author(s):  
Marilia S. Costa ◽  
Nubia Boechat ◽  
Vitor F. Ferreira ◽  
Solange M. S. V. Wardell ◽  
Janet M. S. Skakle
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Compound C ◽  
Weak Hydrogen Bonding

In the crystal structure of the title compound, C10H9F2N3, weak hydrogen bonding involving the triazole and difluoromethyl groups leads to the formation of chains along [010]. The benzene and triazole rings are essentially coplanar, with an angle of 0.34 (17)° between the planes defined by the two rings.

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