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Crystallographic and ab initio study of pyridine CH-O interactions: linearity of the interactions and influence of pyridine classical hydrogen bonds
(Royal Soc Chemistry, Cambridge, 2013)
The CH-O interactions of pyridine with water molecules were studied by analysing the data in the Cambridge Structural Database (CSD) and by ab initio calculations. The analysis of the CH-O interactions in the crystal ...
Crystallographic and ab initio study of pyridine CH-O interactions: linearity of the interactions and influence of pyridine classical hydrogen bonds
(Royal Soc Chemistry, Cambridge, 2013)
The CH-O interactions of pyridine with water molecules were studied by analysing the data in the Cambridge Structural Database (CSD) and by ab initio calculations. The analysis of the CH-O interactions in the crystal ...
Stacking interactions between hydrogen-bridged and aromatic rings: study of crystal structures and quantum chemical calculations
(Royal Soc Chemistry, Cambridge, 2017)
Geometric analysis of data from Cambridge Structural Database (CSD) reveals that contacts between planar hydrogen-bridged rings and C-6-aromatic rings are mostly parallel stacked geometries. High-level quantum chemical ...
Are C-H center dot center dot center dot O interactions linear? The case of aromatic CH donors
(Royal Soc Chemistry, Cambridge, 2011)
The angular distribution of the C-H center dot center dot center dot O interactions of aromatic C-H donors was studied by analyzing data in the Cambridge Structural Database (CSD) and by ab initio calculations. The analysis ...
Stacking interactions between hydrogen-bridged and aromatic rings: study of crystal structures and quantum chemical calculations
(Royal Soc Chemistry, Cambridge, 2017)
Geometric analysis of data from Cambridge Structural Database (CSD) reveals that contacts between planar hydrogen-bridged rings and C-6-aromatic rings are mostly parallel stacked geometries. High-level quantum chemical ...
Stacking vs. CH-pi interactions between chelate and aryl rings in crystal structures of square-planar transition metal complexes
(Royal Soc Chemistry, Cambridge, 2007)
The crystal structures of square-planar transition-metal complexes from the Cambridge Structural Database (CSD) with close contacts between planar chelate rings and aryl rings containing six carbon atoms (C-6- aryl) were ...
Stacking of cyclopentadienyl organometallic sandwich and half-sandwich compounds. Strong interactions of sandwiches at large offsets
(Royal Soc Chemistry, Cambridge, 2018)
Stacking interactions of organometallic sandwich and half-sandwich compounds with cyclopentadienyl (Cp) were studied by searching and observing the crystal structures in the Cambridge Structural Database and performing ...
Classification of stacking interaction geometries of terpyridyl square-planar complexes in crystal structures
(Royal Soc Chemistry, Cambridge, 2010)
Stacking interactions of terpyridyl square-planar complexes in crystal structures were studied analyzing data from the Cambridge Structural Database. In most of the crystal structures, two terpyridyl complexes were oriented ...
Halogen bonds as a tool in the design of high energetic materials: evidence from crystal structures and quantum chemical calculations
(Royal Society of Chemistry, 2021)
Positive electrostatic potential over the central area of the molecular surface is one of the main characteristics of high energetic materials (HEMs) that determines their sensitivity towards detonation. The influence of ...
2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior
(Royal Society of Chemistry, 2021)
Four silver-based coordination polymers, {[Ag(L1)2]NO3}∞(1), {[Ag(L1)2]ClO4}∞(2), {[Ag(L2)2]NO3·H2O}∞(3) and {[Ag(L2)2]ClO4}∞(4), were synthesized using the thiomorpholine-4-carbonitrile (L1) and piperazine-1,4-dicarbonitrile ...