Results 201 to 210 of about 2,056,277 (235)
Some of the next articles are maybe not open access.
Solid-state and solution structure of a hypervalent AX5 compound: Sb(C6F5)5.
Angewandte Chemie, 2012Eliminating restraints: a trigonal-bipyramidal structure has been found to be the energetically favored geometry of the hypervalent AX(5) molecule Sb(C(6)F(5))(5) in the solid state and also in fluid solution, where molecules move freely and no crystal ...
M. A. García-Monforte +4 more
semanticscholar +1 more source
The Saga of “Hypervalent” Molecules
1983In a previous work, we have outlined the Molecular Orbital-Valence Bond (MOVB) theory of chemical bonding, based on the core(C)-ligand(L) dissection.1 In previous chapters, we have applied this brand of theory to a variety of structural problems with the aim to demonstrate its conceptual and formal advantages over previous and current qualitative ...
openaire +2 more sources
Metallization of a hypervalent radical dimer: molecular and band perspectives.
Journal of the American Chemical Society, 2010Variable pressure and temperature conductivity measurements on the bisthiaselenazolyl radical dimer [1a](2) have established the presence of a weakly metallic state over the pressure range 5-9 GPa.
J. Tse +10 more
semanticscholar +1 more source
Journal of Molecular Structure: THEOCHEM, 1998
Abstract The geometrical structures of CLi5, CLi6 and related species were optimized using the HF, MP2 and DFT methods with the 6-31G* basis set. We have calculated and discussed the stabilities of these perlithiated molecules towards possible dissociation reactions.
Zheng Xiang’e +2 more
openaire +2 more sources
Abstract The geometrical structures of CLi5, CLi6 and related species were optimized using the HF, MP2 and DFT methods with the 6-31G* basis set. We have calculated and discussed the stabilities of these perlithiated molecules towards possible dissociation reactions.
Zheng Xiang’e +2 more
openaire +2 more sources
, 2013
Pillar[5]quinone (P[5]Q), a potential molecule for anion recognition and supramolecular host-guest chemistry, has not as yet been used for practical purposes, presumably due to the synthetic difficulties in obtaining it in large amounts.
K. I. Shivakumar, G. Sanjayan
semanticscholar +1 more source
Pillar[5]quinone (P[5]Q), a potential molecule for anion recognition and supramolecular host-guest chemistry, has not as yet been used for practical purposes, presumably due to the synthetic difficulties in obtaining it in large amounts.
K. I. Shivakumar, G. Sanjayan
semanticscholar +1 more source
Journal of Molecular Structure: THEOCHEM, 1998
The Mulliken and ESP-based atomic charges and dipole moments have been calculated for a group of substituted methanesulfonamides by several ab initio and semi-empirical methods, in order to find the most reliable semi-empirical method of calculating these quantities in hypervalent molecules.
Claudiu T. Supuran +2 more
openaire +2 more sources
The Mulliken and ESP-based atomic charges and dipole moments have been calculated for a group of substituted methanesulfonamides by several ab initio and semi-empirical methods, in order to find the most reliable semi-empirical method of calculating these quantities in hypervalent molecules.
Claudiu T. Supuran +2 more
openaire +2 more sources
Organic Letters, 2004
[reaction: see text] The total synthesis of (+/-)-dibromophakellstatin is described. The molecule is constructed from a key syn-diazide, formed by a hypervalent iodine-mediated diazidation of a dihydrodipyrrolopyrazinone ring structure.
Raymond Chung +3 more
semanticscholar +1 more source
[reaction: see text] The total synthesis of (+/-)-dibromophakellstatin is described. The molecule is constructed from a key syn-diazide, formed by a hypervalent iodine-mediated diazidation of a dihydrodipyrrolopyrazinone ring structure.
Raymond Chung +3 more
semanticscholar +1 more source
Intermolecular interactions between hypervalent molecules: Ph2IX and XF3 (X=Cl, Br, I) dimers
New Journal of Chemistry, 1998The intermolecular bonding in dimers of the T-shaped hypervalent title compounds is analyzed using a combination of density functional calculations and qualitative arguments. Fragment molecular orbital interaction diagrams lead us to the conclusion that the bonding in these species can be understood using the language of donor-acceptor interactions ...
Ruslan M. Minyaev +3 more
openaire +2 more sources
Chemical Physics Letters, 2000
Abstract It is shown that special care must be taken to choose a basis set with an appropriate number of polarization functions when studying processes involving several hypervalent molecules, each with some particular atom exhibiting different Lewis structures.
openaire +2 more sources
Abstract It is shown that special care must be taken to choose a basis set with an appropriate number of polarization functions when studying processes involving several hypervalent molecules, each with some particular atom exhibiting different Lewis structures.
openaire +2 more sources
Cyclic aromatic systems with hypervalent centers.
Chemical Reviews, 2001Strong attractive intramolecular ...
Vladimir I. Minkin and, R. M. Minyaev
semanticscholar +1 more source