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Inside Cover, Volume 113, Issue 11
Publication year - 2013
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.24455
Subject(s) - antibonding molecular orbital , lone pair , chalcogen , cover (algebra) , charge (physics) , non covalent interactions , physics , crystallography , chemistry , electron , theoretical physics , molecule , quantum mechanics , atomic orbital , hydrogen bond , mechanical engineering , engineering
The cover shows three of the components that go into the formation of a noncovalent pnicogen bond, in this case the FH 2 P...NH 3 complex. The upper diagram represents charge transfer from the N lone pair into the vacant σ* P‐F antibonding orbital. The Coulombic attraction between the electrostatic potentials of the FH 2 P and NH 3 subunits is illustrated in the middle figure. The lower figure depicts the shifts of electron density that occur when the two molecules combine to form the pnicogen‐bonded complex, with charge shifting from green areas to purple. In the Review on page 1609 , Steve Scheiner gives an overview of this type of noncovalent interaction, drawing parallelisms with the related chalcogen, halogen, and H‐bonds.