Theoretical Analysis of the Resonance Assisted Hydrogen Bond Based on the Combined Extended Transition State Method and Natural Orbitals for Chemical Valence Scheme†

2010 ◽  
Vol 114 (33) ◽  
pp. 8581-8590 ◽  
Author(s):  
Rafał Kurczab ◽  
Mariusz P. Mitoraj ◽  
Artur Michalak ◽  
Tom Ziegler
Keyword(s):  
Hydrogen Bond ◽  
Theoretical Analysis ◽  
Transition State ◽  
Natural Orbitals ◽  
Resonance Assisted Hydrogen Bond ◽  
State Method

Multiple Boron−Boron Bonds in Neutral Molecules: An Insight from the Extended Transition State Method and the Natural Orbitals for Chemical Valence Scheme

2011 ◽  
Vol 50 (6) ◽  
pp. 2168-2174 ◽  
Author(s):  
Mariusz P. Mitoraj ◽  
Artur Michalak
Keyword(s):  
Transition State ◽  
Natural Orbitals ◽  
State Method

Synthesis and Structural Characterisation of New Bifunctional o-Hydroxyacetophenones – Potential Linker Molecules for Coordinative Framework Construction

2013 ◽  
Vol 68 (3) ◽  
pp. 214-222 ◽  
Author(s):  
Jörg Hübscher ◽  
Michael Günthel ◽  
Robert Rosin ◽  
Wilhelm Seichter ◽  
Florian Mertens ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
X Ray ◽  
Structural Characterisation ◽  
Crystallographic Study ◽  
Copper Coordination ◽  
Resonance Assisted Hydrogen Bond ◽  
Intramolecular Hydrogen ◽  
Fitting In ◽  
Linker Molecules

Two new linker-type molecules 1a and 1b composed of o-hydroxyacetophenone coordinative groups attached to linear ethynylene or 1,4-phenylenediethynylene spacer units have been synthesised and structurally characterised. An X-ray crystallographic study for both compounds has shown structures with strong intramolecular hydrogen bonds fitting in the model of ‘Intramolecular Resonance Assisted Hydrogen Bond (IRHAB)’. Initial coordination experiments with Cu(II) were performed and the resulting materials characterised by PXRD. The similarity of the copper coordination between these compounds and copper(II) acetylacetonate complexes was demonstrated by XPS measurements. Based on the evidence of these studies, and on elemental analysis, the formation of the corresponding coordination polymers comprising Cu(II) and the linkers has been proposed

Bonding in Tropolone, 2-Aminotropone, and Aminotroponimine: No Evidence of Resonance-Assisted Hydrogen-Bond Effects

2008 ◽  
Vol 14 (14) ◽  
pp. 4225-4232 ◽  
Author(s):  
Pablo Sanz ◽  
Otilia Mó ◽  
Manuel Yáñez ◽  
José Elguero
Keyword(s):  
Hydrogen Bond ◽  
Resonance Assisted Hydrogen Bond
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