Exploring (NH2F)2, H2FP:NFH2, and (PH2F)2 Potential Surfaces: Hydrogen Bonds or Pnicogen Bonds?

2012 ◽  
Vol 117 (1) ◽  
pp. 183-191 ◽  
Author(s):  
Ibon Alkorta ◽  
Goar Sánchez-Sanz ◽  
José Elguero ◽  
Janet E. Del Bene
Keyword(s):  
Hydrogen Bonds ◽  
Potential Surfaces ◽  
Pnicogen Bonds

Competition and conversion between pnicogen bonds and hydrogen bonds involving prototype organophosphorus compounds

2021 ◽  
Author(s):  
Xinyue Jing ◽  
Yanli Zeng ◽  
Xueying Zhang ◽  
Lingpeng Meng ◽  
Xiaoyan Li
Keyword(s):  
Hydrogen Bonds ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Organophosphorus Compounds ◽  
Pnicogen Bonds

Ab initio calculations have been performed to investigate the competition and conversion between the pnicogen bonds and hydrogen bonds in the complexes containing prototype organophosphorus compounds RPO2 (R = CH3...

Interplay of F–H...F Hydrogen Bonds and P...N Pnicogen Bonds

2012 ◽  
Vol 116 (36) ◽  
pp. 9205-9213 ◽  
Author(s):  
Janet E. Del Bene ◽  
Ibon Alkorta ◽  
Goar Sánchez-Sanz ◽  
José Elguero
Keyword(s):  
Hydrogen Bonds ◽  
Pnicogen Bonds

scholarly journals Building inorganic supramolecular architectures using principles adopted from the organic solid state

IUCrJ ◽  
2018 ◽  
Vol 5 (1) ◽  
pp. 13-21 ◽  
Author(s):  
Marijana Đaković ◽  
Željka Soldin ◽  
Boris-Marko Kukovec ◽  
Ivan Kodrin ◽  
Christer B. Aakeröy ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Hydrogen Bonds ◽  
Molecular Electrostatic Potential ◽  
Building Blocks ◽  
Coordination Complexes ◽  
Potential Surfaces ◽  
Supramolecular Architectures ◽  
Organic Solid ◽  
Complex Building

In order to develop transferable and practical avenues for the assembly of coordination complexes into architectures with specific dimensionality, a strategy utilizing ligands capable of simultaneous metal coordination and self-complementary hydrogen bonding is presented. The three ligands used, 2(1H)-pyrazinone, 4(3H)-pyrimidinone and 4(3H)-quinazolinone, consistently deliver the required synthetic vectors in a series of CdII coordination polymers, allowing for reproducible supramolecular synthesis that is insensitive to the different steric and geometric demands from potentially disruptive counterions. In all nine crystallographically characterized compounds presented here, directional intermolecular N—H...O hydrogen bonds between ligands on adjacent complex building blocks drive the assembly and orientation of discrete building blocks into largely predictable topologies. Furthermore, whether the solids are prepared from solution or through liquid-assisted grinding, the structural outcome is the same, thus emphasizing the robustness of the synthetic protocol. The details of the molecular recognition events that take place in this series of compounds have been clearly delineated and rationalized in the context of calculated molecular electrostatic potential surfaces.

Complexes H 2 CO:PXH 2 and HCO 2 H : PXH 2 for X=NC, F, Cl, CN, OH, CCH, CH 3 , and H: Pnicogen Bonds and Hydrogen Bonds

ChemPhysChem ◽  
2020 ◽  
Vol 21 (8) ◽  
pp. 741-748 ◽  
Author(s):  
Janet E. Del Bene ◽  
Ibon Alkorta ◽  
José Elguero
Keyword(s):  
Hydrogen Bonds ◽  
Pnicogen Bonds

Use of molecular overlap to predict intermolecular repulsion in N... H-O hydrogen bonds

1998 ◽  
Vol 95 (3) ◽  
pp. 525-537 ◽  
Author(s):  
I. NOBELI S. L. PRICE R. J. WHEATLEY
Keyword(s):  
Hydrogen Bonds

On symmetrical O-H-O hydrogen bonds

1964 ◽  
Vol 25 (5) ◽  
pp. 487-492 ◽  
Author(s):  
R.E. Rundle
Keyword(s):  
Hydrogen Bonds

A Crystallographic Study of Bis[S-benzyl-5-bromo-2-oxoindolin-3-ylidenemethanehydrazonthioate] Disulfide Solvated with Dimethylsulfoxide

2012 ◽  
Vol 9 (2) ◽  
pp. 87
Author(s):  
Mohd Abdul Fatah Abdul Manan ◽  
M. Ibrahim M. Tahir ◽  
Karen A. Crouse ◽  
Fiona N.-F. How ◽  
David J. Watkin
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Solvent Molecule ◽  
Site Occupancy ◽  
Unit Cell Parameters ◽  
Intermolecular Hydrogen Bonds ◽  
Triclinic Space Group ◽  
Cell Parameters ◽  
Crystallographic Study ◽  
Thiol Form

The crystal structure of the title compound has been determined. The compound crystallized in the triclinic space group P -1, Z = 2, V = 1839 .42( 18) A3 and unit cell parameters a= 11. 0460( 6) A, b = 13 .3180(7) A, c=13. 7321 (8) A, a = 80.659(3 )0, b = 69 .800(3 )0 and g = 77 .007 (2)0 with one disordered dimethylsulfoxide solvent molecule with the sulfur and oxygen atoms are distributed over two sites; S101/S102 [site occupancy factors: 0.6035/0.3965] and 0130/0131 [site occupancy factor 0.3965/0.6035]. The C22-S2 l and C 19-S20 bond distances of 1. 779(7) A and 1. 788(8) A indicate that both of the molecules are connected by the disulfide bond [S20-S21 2.055(2) A] in its thiol form. The crystal structure reveals that both of the 5-bromoisatin moieties are trans with respect to the [S21-S20 and CI 9-Nl 8] and [S20-S21 and C22-N23] bonds whereas the benzyl group from the dithiocarbazate are in the cis configuration with respect to [S21-S20 and C19-S44] and [S20-S21 and C22-S36] bonds. The crystal structure is further stabilized by intermolecular hydrogen bonds of N9-H35···O16 formed between the two molecules and N28-H281 ···O130, N28-H281 ···O131 and C4 l-H4 l l ···O 131 with the solvent molecule.

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