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Mohammad Solimannejad

Mohammad Solimannejad

Academic rank: Professor
ORCID: https://orcid.org/0000-0003-0617-8689
Education: PhD.
ScopusId: 6701740031
Faculty: Science
Address: Arak University
Phone:

Research

Title
Mutual influence between anion– and pnicogen bond interactions:The enhancement of P· · ·N and P· · ·O interactions by an anion– bond
Type
JournalPaper
Keywords
Anion–Pnicogen bondInterplayAb initioQTAIMa
Year
2015
Journal Journal of Molecular Graphics and Modelling
DOI
Researchers MD Esrafili ، Fariba Mohammadian Sabet ، Mohammad Solimannejad

Abstract

tIn this work, the interplay between anion– and pnicogen bond interactions is investigated by ab initiocalculations. Cooperative effects are observed in the studied complexes in which anion– and pnicogenbond interactions coexist. These effects are analyzed in detail in terms of the energetic, geometric, charge-transfer and electron density properties of the complexes. The cooperative energy ranges from −1.8 to−4.1 kcal mol−1. The effect of an anion– bond on a pnicogen bond is more pronounced than that of apnicogen bond on an anion– bond. The enhancing mechanism is analyzed in views with the charge-transfer, electrostatic potential and electron density analysis.