Comparison of two views regarding the nature of the X-H…phenyl interaction

Abstract

There are two approaches in the analysis of the nature of the X-H…phenyl interactions. One is based on the assumption that atoms, bonds and the π plane belonging to the phenyl ring, are the points which can be involved in the interaction. The other states that center of the phenyl ring is the point acceptor. In this paper we compare two views using the directionality of the X-H vector and length/angle correlations relative to both assumed point acceptors. The results suggest that on the basis of this methodology there is no clear answer regarding the nature of the acceptor site in the phenyl ring.Physical chemistry 2004 : 7th international conference on fundamental and applied aspects of physical chemistry; Belgrade (Serbia); 21-23 September 200

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