Behavior of interactions between hydrogen chalcogenides and an anthracene π-system elucidated by QTAIM dual functional analysis with QC calculations
نویسندگان
چکیده
منابع مشابه
Dynamic and static behavior of hydrogen bonds of the X-H···π type (X = F, Cl, Br, I, RO and RR'N; R, R' = H or Me) in the benzene π-system, elucidated by QTAIM dual functional analysis.
Dynamic and static behavior of the X-H-*-π interactions in X-H-*-π(C6H6) (X = F, Cl, Br, I, HO, MeO, H2N, MeHN and Me2N) is elucidated by QTAIM-DFA (QTAIM dual functional analysis), which we proposed recently, as the first step to clarify various types of X-H-*-π interactions. The asterisk * emphasizes the existence of the bond critical point (BCP) on the interaction in question. Total electron...
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ژورنال
عنوان ژورنال: RSC Advances
سال: 2017
ISSN: 2046-2069
DOI: 10.1039/c7ra04224h