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Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule
(Royal Society of Chemistry, 2020)
Two-dimensional (2D) halogen-bonded organic frameworks were readily engineered by strong and directional effects of the primary Br⋯O and the secondary Br⋯π halogen bonding interactions from the tetrabromobenzene-1,4-dicarboxylic ...
Stacking interactions between ruthenium p-cymene complexes. Combined crystallographic and density functional study
(Royal Society of Chemistry, 2019)
The Cambridge Structural Database search for stacking interactions between p-cymene (1-methyl-4-isopropylbenzene) ligands of transition metal (mostly ruthenium) complexes revealed three preferred interaction geometries, ...
Strong stacking interactions at large horizontal displacements of tropylium and cyclooctatetraenide ligands of transition metal complexes: crystallographic and DFT study
(Royal Society of Chemistry, 2020)
A Cambridge Structural Database (CSD) search was performed in order to study the stacking interactions of the 7-membered tropylium ring and 8-membered cyclooctatetraenide (COT) ring, coordinated to transition metals via ...
Stacking interactions between ruthenium: P -cymene complexes: Combined crystallographic and density functional study
(Royal Society of Chemistry, 2019)
A search of the Cambridge Structural Database for stacking interactions between p-cymene (1-methyl-4-isopropylbenzene) ligands of transition metal complexes revealed three preferred interaction geometries, all with an ...
What is the preferred geometry of sulfur–disulfide interactions?
(Royal Society of Chemistry, 2020)
Non-covalent interactions between disulfide fragments and sulfur atoms were studied in crystal structures of small molecules and by quantum chemical calculations. Statistical analysis of the geometrical data from the ...
Geometrical and energetic characteristics of Se⋯Se interactions in crystal structures of organoselenium molecules
(The Royal Society of Chemistry, 2021)
Non-covalent selenium–selenium interactions between selenium-containing organic molecules were studied in crystal structures from the Cambridge Structural Database and by high-level quantum chemical calculations. Se⋯Se ...
C-H/O interactions of nucleic bases with a water molecule: a crystallographic and quantum chemical study
(Royal Soc Chemistry, Cambridge, 2014)
The C-H/O interactions of nucleic bases with a water molecule were studied by analyzing data in the Cambridge Structural Database (CSD) and by ab initio calculations. The analysis of the C-H/O interactions in the crystal ...
Zn(II) complexes with thiazolyl–hydrazones: structure, intermolecular interactions, photophysical properties, computational study and anticancer activity
(CrystEngComm, 2022)
Earth-abundant, cheap and non-toxic zinc-based coordination compounds are drawing research attention as promising candidates for various applications, such as photoluminescent materials and anticancer agents. In this paper ...
The influence of water molecule coordination onto the water-aromatic interaction. Strong interactions of water coordinating to a metal ion
(Royal Soc Chemistry, Cambridge, 2013)
The interactions between water molecules (non-coordinating and coordinating) and aromatic rings were studied by analyzing data in the Cambridge Structural Database and by quantum chemical calculations. The results show the ...
What is the preferred geometry of sulfur–disulfide interactions?
(Royal Society of Chemistry, 2020)
Non-covalent interactions between disulfide fragments and sulfur atoms were studied in crystal structures of small molecules and by quantum chemical calculations. Statistical analysis of the geometrical data from the ...