About Intermolecular Interaction, Submolecular Structure, and Paramagnetism of Polyconjugated Systems

1971 ◽  
Vol 5 (7) ◽  
pp. 1187-1203 ◽  
Author(s):  
A. A. Berlin
2021 ◽  
Vol 7 (2) ◽  
pp. 31
Author(s):  
Elena F. Sheka

sp2 Nanocarbons such as fullerenes, carbon nanotubes, and graphene molecules are not only open-shell species, but spatially extended, due to which their chemistry is quite specific. Cogently revealed dependence of the final products composition on size and shape of the carbons in use as well as on the chemical prehistory is accumulated in a particular property—the stabilization of the species’ radical efficiency, thus providing the matter of stable radicals. If the feature is highly restricted and rarely available in ordinary chemistry, in the case of sp2 nanocarbons it is just an ordinary event providing, say, tons-in-mass stable radicals when either producing such widely used technological products as carbon black or dealing with deposits of natural sp2 carbons such as anthracite, shungite carbon, and other. Suggested in the paper is the consideration of stable radicals of sp2 nanocarbons from the standpoint of spin-delocalized topochemistry. Characterized in terms of the total and atomically partitioned number of effectively unpaired electrons as well as of the distribution of the latter over carbon atoms and described by selectively determined barriers of different reactions exhibiting topological essence of intermolecular interaction, sp2 nanocarbons reveal a peculiar topokinetics that lays the foundation of the stability of their radical properties.


2021 ◽  
Vol 154 (13) ◽  
pp. 134106
Author(s):  
Katarzyna Madajczyk ◽  
Piotr S. Żuchowski ◽  
Filip Brzȩk ◽  
Łukasz Rajchel ◽  
Dariusz Kȩdziera ◽  
...  

RSC Advances ◽  
2015 ◽  
Vol 5 (107) ◽  
pp. 87739-87749 ◽  
Author(s):  
Xiaopei Li ◽  
Anqi He ◽  
Kun Huang ◽  
Huizhou Liu ◽  
Ying Zhao ◽  
...  

A new approach called “asynchronous spectrum with auxiliary peaks (ASAP)” is proposed for generating a 2D asynchronous spectrum to investigate the intermolecular interaction between two solutes (P and Q) dissolved in the same solution.


CrystEngComm ◽  
2015 ◽  
Vol 17 (48) ◽  
pp. 9300-9310 ◽  
Author(s):  
Andrew G. P. Maloney ◽  
Peter A. Wood ◽  
Simon Parsons

The PIXEL method has been parameterised and validated for transition metals, extending its applicability from ~40% to ~85% of all published crystal structures.


2010 ◽  
Vol 973 (1-3) ◽  
pp. 144-151 ◽  
Author(s):  
Zhour Hattab ◽  
Carole Barbey ◽  
Maelle Monteil ◽  
Pascal Retailleau ◽  
Nour-Eddine Aouf ◽  
...  

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