Ion-solvent molecule interactions in the gas phase. The potassium ion and dimethyl sulfoxide, DMA, DMF, and acetone

1984 ◽  
Vol 106 (21) ◽  
pp. 6135-6139 ◽  
Author(s):  
Jan Sunner ◽  
Paul Kebarle
Keyword(s):  
Dimethyl Sulfoxide ◽  
Gas Phase ◽  
Solvent Molecule ◽  
Potassium Ion ◽  
Molecule Interactions

Ion-solvent molecule interactions in the gas phase. The potassium ion and benzene

1981 ◽  
Vol 85 (13) ◽  
pp. 1814-1820 ◽  
Author(s):  
Jan Sunner ◽  
Kazushige Nishizawa ◽  
Paul Kebarle
Keyword(s):  
Gas Phase ◽  
Solvent Molecule ◽  
Potassium Ion ◽  
Molecule Interactions

Gas-Phase Clustering of NO+ with H2S and H2O

2007 ◽  
Vol 72 (8) ◽  
pp. 1122-1138 ◽  
Author(s):  
Milan Uhlár ◽  
Ivan Černušák
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Gas Phase ◽  
Saddle Points ◽  
Solvent Molecule ◽  
Local Minima ◽  
Additional Water ◽  
Three Body ◽  
Rain Formation ◽  
Stable Structures

The complex NO+·H2S, which is assumed to be an intermediate in acid rain formation, exhibits thermodynamic stability of ∆Hº300 = -76 kJ mol-1, or ∆Gº300 = -47 kJ mol-1. Its further transformation via H-transfer is associated with rather high barriers. One of the conceivable routes to lower the energy of the transition state is the action of additional solvent molecule(s) that can mediate proton transfer. We have studied several NO+·H2S structures with one or two additional water molecule(s) and have found stable structures (local minima), intermediates and saddle points for the three-body NO+·H2S·H2O and four-body NO+·H2S·(H2O)2 clusters. The hydrogen bonds network in the four-body cluster plays a crucial role in its conversion to thionitrous acid.

Novel pseudopolymorph of the active metabolite of perindopril

2012 ◽  
Vol 68 (9) ◽  
pp. o341-o343 ◽  
Author(s):  
Joanna Bojarska ◽  
Waldemar Maniukiewicz ◽  
Lesław Sieroń ◽  
Andrzej Fruziński ◽  
Piotr Kopczacki ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Dimethyl Sulfoxide ◽  
Active Metabolite ◽  
Alkyl Chain ◽  
Solvent Molecule ◽  
Carboxylate Group ◽  
X Ray Diffraction ◽  
Structural Units ◽  
X Ray ◽  
Zwitterionic Form

The dimethyl sulfoxide hemisolvate of perindoprilat [systematic name: (1S)-2-((S)-{1-[(2S,3aS,7aS)-2-carboxyoctahydro-1H-indol-1-yl]-1-oxopropan-2-yl}azaniumyl)pentanoate dimethyl sulfoxide hemisolvate], C17H28N2O5·0.5C2H6OS, an active metabolite of perindopril, has been synthesized, structurally characterized by single-crystal X-ray diffraction and compared with its ethanol disolvate analogue [Pascardet al.(1991).J. Med. Chem.34, 663–669]. Both compounds crystallize in the orthorhombicP212121space group in the same zwitterionic form, with a protonated alanine N atom and an anionic carboxylate group at then-alkyl chain. The three structural units present in the unit cell (two zwitterions and the solvent molecule) are held together by a rich system of O—H...O, N—H...O and C—H...O hydrogen-bond contacts.

Theoretical study of the triangular bonding complex formed by carbon tetrabromide, a halide, and a solvent molecule in the gas phase

2012 ◽  
Vol 19 (1) ◽  
pp. 299-304 ◽  
Author(s):  
Xiao Ran Zhao ◽  
Yu Jie Wu ◽  
Juan Han ◽  
Qian Jin Shen ◽  
Wei Jun Jin
Keyword(s):  
Gas Phase ◽  
Theoretical Study ◽  
Solvent Molecule ◽  
Carbon Tetrabromide

Solvent–Molecule Interactions Govern Crystal-Habit Selection in Naphthalene Tetracarboxylic Diimides

2019 ◽  
Vol 31 (23) ◽  
pp. 9691-9698 ◽  
Author(s):  
Geoffrey E. Purdum ◽  
Xiangyu Chen ◽  
Nicholas Telesz ◽  
Sean M. Ryno ◽  
Nikita Sengar ◽  
...  
Keyword(s):  
Solvent Molecule ◽  
Crystal Habit ◽  
Molecule Interactions
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