منابع مشابه
Mutual interplay between interactions of pi electrons with simultaneous σ-hole interactions: A computational Study
In this study, the role of interaction of pi electrons on the strength of simultaneous σ-hole interactions (pnicogen, chalcogen and halogen bonds) is investigated using the quantum chemical calculations. X-ben||TAZ∙∙∙Y1,Y2,Y3 complexes (X = CN, F, Cl, Br, CH3 , OH and NH2, TAZ= s-triazine and Y1,Y2 and Y3 denotes PH2F, HSF, and ClF molecules) is introduced as a model. The results show that inte...
متن کاملσ-Hole Interactions: Perspectives and Misconceptions
After a brief discussion of the σ-hole concept and the significance of molecular electrostatic potentials in noncovalent interactions, we draw attention to some common misconceptions that are encountered in that context: (1) Since the electrostatic potential reflects the contributions of both the nuclei and the electrons, it cannot be assumed that negative potentials correspond to “electron-ric...
متن کاملmutual interplay between interactions of pi electrons with simultaneous σ-hole interactions: a computational study
in this study, the role of interaction of pi electrons on the strength of simultaneous σ-hole interactions (pnicogen, chalcogen and halogen bonds) is investigated using the quantum chemical calculations. x-ben||taz∙∙∙y1,y2,y3 complexes (x = cn, f, cl, br, ch3 , oh and nh2, taz= s-triazine and y1,y2 and y3 denotes ph2f, hsf, and clf molecules) is introduced as a model. the results show that inte...
متن کاملThe Interplay between Various σ- and π-Hole Interactions of Trigonal Boron and Trigonal Pyramidal Arsenic Triiodides
Boron and arsenic triiodides (BI3 and AsI3, respectively) are similar molecules that differ mainly in their geometries. BI3 is a planar trigonal molecule with D3h symmetry, while AsI3 exhibits a trigonal pyramidal shape with C3v symmetry. Consequently, the As atom of the AsI3 molecule has three σ-holes, whereas the B atom of the BI3 molecule has two symmetrical π-holes. Additionally, there are ...
متن کامل→ Σ π , Λ π and related strong coupling constant Zhi -
In this article, we calculate the strong coupling constant g among the decuplet baryons, the octet baryons and the pseudoscalar mesons in the heavy baryon chiral perturbation theory with the light-cone QCD sum rules, and study the strong decays Σ∗ → Λπ,Σπ. The numerical value of the strong coupling constant g is consistent with our previous calculation, the central values lead to small SU(3) br...
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ژورنال
عنوان ژورنال: Crystals
سال: 2020
ISSN: 2073-4352
DOI: 10.3390/cryst10090721