Polymorphic porous supramolecular networks mediated by halogen bonds on Ag(111)

Abstract

Intermolecular structures of porous two-dimensional supramolecular networks are studied using scanning tunnelling microscopy combined with density functional theory calculations. The local configurations of halogen bonds in polymorphic porous supramolecular networks are directly visualized in support of previous bulk crystal studies.

Abnormal synergistic effects between Lewis acid–base interaction and halogen bond in F3B···NCX···NCM

“…In the triads, the enhancement of E (2) (LP N →BP * C-X ) relative to it in dyad has a linear relationship with the increase of halogen bond interaction energy ( Figure 2). Similar correlation is also found between the enhancements of E (2) (LP N →LP * B ) and the F 3 B···NCX interaction energy in the triads 1, 4, and 7 or in 2, 3, 5, 6, 8, and 9, respectively, with the higher slope in the former three triads than that in the latter six ones. This indicates that the orbital interactions between LP N and LP * B (BD * C-X ) play a critical role in strengthening the F 3 B···NCX interaction and halogen bond.…”

“…The enhancement of F 3 B···NCX interaction and halogen bond in the triads is also analysed in the view of orbital interaction and charge transfer (CT), which were calculated with NBO 3.1 version [29] implemented in Gaussian 09. The second-order perturbation energy E (2) (LP N →LP * B ) in F 3 B···NCX interaction is far stronger than the E (2) (LP N →BP * C-X ) in the halogen bond (Table S2). In the same triad, the former is nearly 10 times higher than the latter.…”

“…Halogen bond [1], a noncovalent interaction between an electron donor and a covalently bonded halogen atom acting as an electron acceptor, has attracted an increasing attention recently [2][3][4][5][6][7][8], because it can act as a molecular linker in molecular recognition [9][10][11], and material science [12][13][14]. Similar with hydrogen bond, halogen bond also exhibits the cooperative effect, which is responsible for its potential applications in crystal structures and supramolecular chemistry.…”

Assembling molecular Sierpiński triangle fractals

“…3b), is responsible for the formation of the molecular fractals. A similar cyclic halogen bonding with synergistic hydrogen bonding has been reported to play a key role in many self-assembled molecular networks that involve halogen atoms [14][15][16] . Once the cyclic halogen bonding is established at a three-membered node, as in this case, the positively charged σ-hole of the terminal Br atom in one molecule points towards the negatively charged equatorial region of the Br atom in another adjacent molecule in a cyclic way.…”

Bicomponent Supramolecular Architectures at the Vacuum–Solid Interface

“…For all of these reasons, this approach is probably sufficiently robust for general applicability and could be extended to a larger range of biomolecules for potential heterogeneous catalytic systems. on Cu (110). Adapted with permission from Ref.…”