Thermal Dissociation of Protein−Oligosaccharide Complexes in the Gas Phase:  Mapping the Intrinsic Intermolecular Interactions

2002 ◽  
Vol 124 (20) ◽  
pp. 5902-5913 ◽  
Author(s):  
Elena N. Kitova ◽  
David R. Bundle ◽  
John S. Klassen
Keyword(s):  
Gas Phase ◽  
Intermolecular Interactions ◽  
Thermal Dissociation ◽  
Phase Mapping

Thermal dissociation of protonated cyclodextrin-amino acid complexes in the gas phase

2001 ◽  
Vol 210-211 ◽  
pp. 215-222 ◽  
Author(s):  
Ben Garcia ◽  
Javier Ramirez ◽  
Sandy Wong ◽  
Carlito B. Lebrilla
Keyword(s):  
Amino Acid ◽  
Gas Phase ◽  
Thermal Dissociation ◽  
Amino Acid Complexes

Mechanism of HOxFormation in the Gas-Phase Ozone-Alkene Reaction. 2. Prompt versus Thermal Dissociation of Carbonyl Oxides to Form OH

2001 ◽  
Vol 105 (18) ◽  
pp. 4446-4457 ◽  
Author(s):  
Jesse H. Kroll ◽  
Shailesh R. Sahay ◽  
James G. Anderson ◽  
Kenneth L. Demerjian ◽  
Neil M. Donahue
Keyword(s):  
Gas Phase ◽  
Thermal Dissociation ◽  
Carbonyl Oxides

Thermal dissociation of ions limits the degree of the gas-phase H/D exchange at the atmospheric pressure

2017 ◽  
Vol 52 (4) ◽  
pp. 204-209 ◽  
Author(s):  
Y. Kostyukevich ◽  
A. Kononikhin ◽  
I. Popov ◽  
E. Nikolaev
Keyword(s):  
Gas Phase ◽  
Atmospheric Pressure ◽  
Thermal Dissociation

scholarly journals Evidence for an intrinsic binding force between dodecaborate dianions and receptors with hydrophobic binding pockets

2016 ◽  
Vol 52 (37) ◽  
pp. 6300-6303 ◽  
Author(s):  
Jonas Warneke ◽  
Carsten Jenne ◽  
Johannes Bernarding ◽  
Vladimir A. Azov ◽  
Markus Plaumann
Keyword(s):  
Gas Phase ◽  
Intermolecular Interactions ◽  
Binding Studies ◽  
Binding Force ◽  
Hydrophobic Binding ◽  
Binding Pockets

Gas phase binding studies revealed strong intrinsic intermolecular interactions between dianionic dodecaborates [B12X12]2− and neutral organic hosts.

scholarly journals Rovibronic Signatures of Molecular Aggregation in the Gas Phase: Subtle Homochirality Trends in the Dimer, Trimer and Tetramer of Benzyl Alcohol

2021 ◽  
Author(s):  
Robert Medel ◽  
Ander Camiruaga ◽  
Rizalina Tama Saragi ◽  
Pablo Pinacho ◽  
Cristóbal Pérez ◽  
...  
Keyword(s):  
Benzyl Alcohol ◽  
Gas Phase ◽  
Intermolecular Interactions ◽  
Chemical Processes ◽  
Molecular Aggregation

Molecular aggregation is of paramount importance in many chemical processes, including those in living beings. Thus, characterization of the intermolecular interactions is an important step on its understanding. We describe...

Structural insight from intermolecular interactions and energy framework analyses of 2-substituted 6,7,8,9-tetrahydro-11H-pyrido[2,1-b]quinazolin-11-ones

2021 ◽  
Vol 77 (3) ◽  
Author(s):  
Akmaljon G. Tojiboev ◽  
Burkhon Zh. Elmuradov ◽  
Halima Mouhib ◽  
Kambarali K. Turgunov ◽  
Askar Sh. Abdurazakov ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Gas Phase ◽  
Intermolecular Interactions ◽  
Correction Term ◽  
Three Dimensional ◽  
Dispersion Interactions ◽  
Additional Information ◽  
Experimental Crystal ◽  
The Impact

The crystal structures of three mackinazolinone derivatives (2-amino-6,7,8,9-tetrahydro-11H-pyrido[2,1-b]quinazolin-11-one at room temperature, and 2-nitro-6,7,8,9-tetrahydro-11H-pyrido[2,1-b]quinazolin-11-one and N-(11-oxo-6,8,9,11-tetrahydro-7H-pyrido[2,1-b]quinazolin-2-yl)benzamide at 100 K) are explored using X-ray crystallography. To delineate the different intermolecular interactions and the respective interaction energies in the crystal architectures, energy framework analyses were carried out using the CE-B3LYP/6-31G(d,p) method implemented in the CrystalExplorer software. In the structures the different molecules are linked by C—H...O, C—H...N and N—H...O hydrogen bonds. Together with these hydrogen bonds, C—H...π and C—O...π interactions are involved in the formation of a three-dimensional crystal network. A Hirshfeld surface analysis allows the visualization of the two-dimensional fingerprint plots and the quantification of the contributions of H...H, H...C/C...H and H...O/O...H contacts throughout the different crystal structures. To obtain additional information on the intrinsic properties of our targets and to compare the experimental crystal structures with their respective conformations in the gas phase, quantum chemical calculations at the B3LYP-D3BJ/6-311++G(d,p) level of theory, including Grimme's D3 correction term and BJ damping functions, were carried out to account for intramolecular dispersion interactions. The identified energy gaps between the highest occupied and the lowest unoccupied molecular orbitals (HOMO–LUMO gap) of our targets in the gas phase and in two implicit solvents (methanol and dimethyl sulfoxide) allow us to quantify the impact of different substituents on the reactivity of mackinazolinone derivatives.

scholarly journals Weak intermolecular interactions in gas-phase nuclear magnetic resonance

2011 ◽  
Vol 135 (8) ◽  
pp. 084310 ◽  
Author(s):  
Piotr Garbacz ◽  
Konrad Piszczatowski ◽  
Karol Jackowski ◽  
Robert Moszynski ◽  
Michał Jaszuński
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Gas Phase ◽  
Intermolecular Interactions ◽  
Weak Intermolecular Interactions ◽  
Nuclear Magnetic
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