Perfluorocarbon–hydrocarbon self-assembly. Part 16: Anilines as new electron donor modules for halogen bonded infinite chain formation

Liantonio, Rosalba; Luzzati, Silvia; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe

doi:10.1016/s0040-4020(02)00264-8

Cited by 43 publications

(41 citation statements)

References 70 publications

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“…One‐dimensional (1D) chains are formed when both the donor and the acceptor are bidentate (Figure 2). Linear polymers are formed when the axes of the donor and acceptor sites are parallel and coaxial,8b,c, 24a, 25c, 37a, 41 while stepped infinite chains are formed when the binding sites are parallel, but no longer collinear 23f. 24a, 34, 37a, 42…”

Section: Xbs In Crystal Engineeringmentioning

confidence: 99%

“…For example, 4,4′‐bipyridine, and its ethylene analogue 4,4′‐ethane‐1,2‐diyldipyridine, afford linear chains with 1,4‐diiodotetrafluorobenzene, but zigzag chains on interaction with the 1,3‐ and 1,2‐ analogues (Figure 2). 43 Many cases have been described where the XB donor,24c, 43c the XB acceptor,9a, 25b, 36, 38, 44 or both sites23f, 35c present an angled geometry. The linear and/or angled modules can be both neutral and anionic species, and halide anions frequently function as bidentate XB acceptors and assume linear or angled geometries17b, 26b, 45 as a function of the overall crystal‐packing requirements.…”

Section: Xbs In Crystal Engineeringmentioning

confidence: 99%

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Halogen Bonding in Supramolecular Chemistry

et al. 2008

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Halogen bonding is the noncovalent interaction where halogen atoms function as electrophilic species. The energetic and geometrical features of the interaction are described along with the atomic characteristics that confer molecules with the specific ability to interact through this interaction. Halogen bonding has an impact on all research fields where the control of intermolecular recognition and self-assembly processes plays a key role. Some principles are presented for crystal engineering based on halogen-bonding interactions. The potential of the interaction is also shown by applications in liquid crystals, magnetic and conducting materials, and biological systems.

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Section: Xbs In Crystal Engineeringmentioning

confidence: 99%

Section: Xbs In Crystal Engineeringmentioning

confidence: 99%

Halogen Bonding in Supramolecular Chemistry

et al. 2008

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“…A number of studies have shown that many properties of the halogen bond are analogous to those of the hydrogen bond [25,27,30,34,[40][41][42][43][44][45][46][47][48][49][50][51][52][53][54]. However, only a few previous studies have focused on the theoretical study of the possible cooperativity effects on the halogen bonded clusters.…”

Section: Introductionmentioning

confidence: 99%

A computational study of the cooperativity in clusters of interhalogen derivatives

2008

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The clusters, up to four monomers, of the interhalogen derivatives (FCl, FBr, and ClBr) have been studied by means of ab initio and DFT methods, up to MP2/aug-cc-pVTZ computational methods. Two dispositions, linear and cyclic, of the clusters have been studied. Cooperative effects in the geometry, energy, and electron density have been observed in the linear and cyclic dispositions of these clusters. The Natural Energy Decomposition Analysis shows that the main source of the interaction corresponds to the polarization term.

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“…For instance, (E)-1,2-diiododifluoroethylene [33], perfluoro-1,4-diiodobutane, -1,6-diiodohexane, -1,8-diiodooctane (1b, 1c, and 1d, respectively) [24,25,[34][35][36], 1,2-and 1,4-diiodotetrafluorobenzene [37][38][39][40][41][42][43][44][45] as well as 1,2-, 1,3-, and 1,4-dibromotetrafluorobenzene [46] are acid modules that nicely follow this behaviour. The same holds for other compounds where a hydrocarbon spacer separates two 4-iodotetrafluorophenyl moieties [47].…”

Section: Resultsmentioning

confidence: 99%