http://www.cnr.it/ontology/cnr/individuo/prodotto/ID48603
Site-selective assembly between 1,8-diiodoperfluorooctane and 4,7,8,11-tetraazahelicene driven by halogen bonding (Articolo in rivista)
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- Site-selective assembly between 1,8-diiodoperfluorooctane and 4,7,8,11-tetraazahelicene driven by halogen bonding (Articolo in rivista) (literal)
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- 2011-01-01T00:00:00+01:00 (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
- 10.1080/10610278.2010.521841 (literal)
- Alternative label
Biella, Serena; Cametti, Massimo; Caronna, Tullio; Cavallo, Gabriella; Forni, Alessandra; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo (2011)
Site-selective assembly between 1,8-diiodoperfluorooctane and 4,7,8,11-tetraazahelicene driven by halogen bonding
in Supramolecular chemistry (Print); Gordon and Breach Science Publishers, New York (Stati Uniti d'America)
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- Biella, Serena; Cametti, Massimo; Caronna, Tullio; Cavallo, Gabriella; Forni, Alessandra; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo (literal)
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- DOI: 10.1080/10610278.2010.521841 (literal)
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- Polytechnic University of Milan; Istituto Italiano di Tecnologia - IIT; University of Bergamo; Consiglio Nazionale delle Ricerche (CNR) (literal)
- Titolo
- Site-selective assembly between 1,8-diiodoperfluorooctane and 4,7,8,11-tetraazahelicene driven by halogen bonding (literal)
- Abstract
- The X-ray diffraction analysis on single crystals obtained from the self-assembly of 1,8-diiodoperfluorooctane 1 with the tetraazahelicene derivative 2 revealed a site-selective pattern of halogen bonds (XBs) in the solid state. Indeed, two non-equivalent XBs drive the formation of an indefinitely repeating pentameric (1)3 center dot(2)2 unit. Interestingly, the N...I-C bonding formation occurred selectively on the pyridazinic/cinnolinic nitrogen atoms of the tetraazahelicene unit, which were preferred over the pyridinic/quinolinic ones. On the basis of molecular electrostatic potential and molecular orbital analyses, DFT calculations predicted and explained well this site-selective XB formation, thus demonstrating to be efficient tools for the prediction of the XB site selectivity in similar polynitrogen systems. (literal)
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