Al, Ga, In) and π-hole of MH3 (M = Al, Ga, In) were discovered and analyzed, the bimolecular complexes M2H6···NH3 and MH3···N2P2F4 (M = Al, Ga, In) were constructed to carry out comparative studies on the group III σ-hole interactions and π-hole interactions....
and other terms or Coulombicinteraction to the σ-hole bond and π-hole bond were reviewed f i rst followed by a briefdiscussion on the interplay between the σ-hole bond and the π-hole bond as well asapplication of the two types of noncovalent interactions in the f i eld of anion rec...
Herein, a thorough comparative investigation for the potentiality of triel, tetrel, pnicogen, and chalcogen to engage in pi-hole interactions with pi-systems and Lewis bases was conducted. pi-hole donors, namely, AlF3, SiF2O, PFO2, and SO3, were subjected to interact with benzene (BZN)/...
The electrostatic energy contributions to the interaction energy of the sigma-hole interactions are somewhat greater than those of the pi-hole interactions. However, the polarization contributions for the pi-hole interactions are somewhat greater than those for the sigma-hole interactions. (C) 2016 ...
Both the sigma-hole and pi-hole interactions belong to the closed-shell and noncovalent interactions. The pi-hole interactions are stronger than the sigma-hole interactions. For the pi-hole interactions, the contribution percents of the dispersion energies are somewhat greater than those of the ...
Copper(II)Schiff baseCytotoxicitypi-Hole interactionsDFT studyA new mononuclear copper(II) complex, [CuL(CIO4)(2doi:10.1016/j.poly.2016.11.012FronteraUnivAntonioUnivBauzaUnivDrewUnivMichaelUnivG.UnivB.UnivChattopadhyayUnivShouvikUnivKhanUnivPolyhedron: The International Journal for Inorganic and ...
Interactions between haloperfluorobenzenes and fluoranthene in luminescent cocrystals from [small pi]-hole[middle dot][middle dot][middle dot][small pi] to [sigma]-hole[middle dot][middl...
Lone Pair-[small pi] vs [sigma]-Hole-[small pi] Interactions in Bromine Head Containing Oxacalix[2]arene[2]triazinesTwo new bromine head containing oxacalix[2]arene[2]triazines were designed and synthesized. Owing to the bromi...
Comparing with TQ3, the coplanar pi-extended quinoxaline based TQ4 endows enriched intermolecular interactions and stronger pi-pi stacking, thus achieving a higher hole mobility of 2.08x10(-4) cm(2) V-1 s(-1). It also shows matched energy levels and high thermal stability for application in...
cofacial interactionsexciton delocalizationπ-stackingExciton and charge delocalization across -stackeddoi:10.1002/anie.201804337Wang, DenanIvanov, MaximKokkin, DamianLoman, JohnCai, Jin-zheRathore, RajendraReid, ScottAngew Chem Int Ed EnglAngewandte Chemie...