A Note on Van Der Waals Radii and Atomic Dimensional Characteristics

2015 ◽  
pp. 3-7
Author(s):  
G Korablev ◽  
G Valiullina ◽  
G Zaikov
Keyword(s):  
Van Der Waals ◽  
Van Der Waals Radii

scholarly journals New crystal structures of alkali metal tetrakis(pentafluorophenyl)borates

2020 ◽  
Vol 43 (1) ◽  
pp. 99-101
Author(s):  
Daniel Duvinage ◽  
Artem Schröder ◽  
Enno Lork ◽  
Jens Beckmann
Keyword(s):  
Alkali Metal ◽  
Crystal Structures ◽  
Van Der Waals ◽  
Van Der Waals Radii

AbstractThe crystal structures of the salts [Li(1,2-F2C6H4)] [B(C6F5)4] (1) and Cs[B(C6F5)4] (2) comprise six Li···F contacts (1.965(3) − 2.312(3) Å) and twelve Cs···F contacts (3.0312(1) − 3.7397(2) Å), respectively, which are significantly shorter than the sum of van der Waals radii (3.29 and 4.90 Å).

scholarly journals Crystal structure of 3-bromomethyl-2-chloro-6-(dibromomethyl)quinoline

2015 ◽  
Vol 71 (5) ◽  
pp. o354-o355
Author(s):  
Kasirajan Gayathri ◽  
Palathurai S. Mohan ◽  
Judith A. K. Howard ◽  
Hazel A. Sparkes
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Van Der Waals ◽  
Ring System ◽  
Quinoline Ring ◽  
Π Interactions ◽  
Compound C ◽  
Van Der Waals Radii

In the title compound, C11H7Br3ClN, the quinoline ring system is approximately planar (r.m.s. = 0.011 Å). In the crystal, molecules are linked by C—H...Br interactions forming chains along [10-1]. The chains are linked by C—H...π and π–π interactions involving inversion-related pyridine rings [intercentroid distance = 3.608 (4) Å], forming sheets parallel to (10-1). Within the sheets, there are two significant short interactions involving a Br...Cl contact of 3.4904 (18) Å and a Br...N contact of 3.187 (6) Å, both of which are significantly shorter than the sum of their van der Waals radii.

van der Waals Radii of Noble Gases

2014 ◽  
Vol 53 (17) ◽  
pp. 9260-9266 ◽  
Author(s):  
Jürgen Vogt ◽  
Santiago Alvarez
Keyword(s):  
Noble Gases ◽  
Van Der Waals ◽  
Van Der Waals Radii

scholarly journals Weak sulfur-sulfur interactions between chemically-identical atoms

2013 ◽  
Vol 11 (3) ◽  
pp. 457-463 ◽  
Author(s):  
Radu Silaghi-Dumitrescu ◽  
Alexandru Lupan
Keyword(s):  
Van Der Waals ◽  
Interaction Force ◽  
Molecular Orbitals ◽  
Point Of View ◽  
Attractive Interaction ◽  
Theoretical Methods ◽  
Energetic Point ◽  
Van Der Waals Radii ◽  
Simple Models

AbstractAbstract Experimentally-known sulfur-sulfur distances shorter than the sum of van der Waals radii and involving two chemically-identical sulfur atoms are examined at several levels of theory (BP86/6-31G** to CCSD(T)/6-311+G**). None of the theoretical methods predict an attractive interaction from an energetic point of view, even though molecular orbitals stretching between the two sulfur atoms have been identified. Most likely, if there is indeed an attractive interaction force between chemically identical sulfur atoms, its value is comparable to the accuracy of the methods employed here — implying an attractive interaction below 1 kcal/mol. The investigation includes some simple models of 1,6,12,17-tetrathiacyclodocosa-2,4,13,15-tetrayne which was previously shown to have an S—S interaction involving two chemically-identical atoms. Attractive interactions calculated for these latter models are shown to arise from S—HC weak bonding, with the S—S interaction being again repulsive. Graphical abstract

scholarly journals Crystal structure of the pyridine–diiodine (1/1) adduct

2015 ◽  
Vol 71 (7) ◽  
pp. o463-o463 ◽  
Author(s):  
Matti Tuikka ◽  
Matti Haukka
Keyword(s):  
Crystal Structure ◽  
Pyridine Ring ◽  
Van Der Waals ◽  
Van Der Waals Radii

In the title adduct, C5H5N·I2, the N—I distance [2.424 (8) Å] is remarkably shorter than the sum of the van der Waals radii. The line through the I atoms forms an angle of 78.39 (16)° with the normal to the pyridine ring.

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