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Transfer of electron density as a result of hydrogen bond formation
Author(s) -
SadlejSosnowska Nina
Publication year - 2008
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.21781
Subject(s) - hydrogen atom , chemistry , molecule , acceptor , electron transfer , chemical physics , atom (system on chip) , electron , hydrogen , atomic physics , charge (physics) , electron density , transfer (computing) , exponential function , hydrogen bond , atoms in molecules , computational chemistry , physics , quantum mechanics , organic chemistry , mathematical analysis , alkyl , mathematics , computer science , embedded system , parallel computing
It has been found that the amount of charge transfer between donor and acceptor molecules in four sets of hydrogen‐bonded complexes may be adequately described as an exponential function of the equilibrium distance between the hydrogen atom and the nearest atom of the acceptor molecule. The exponential factors of the transfer are of the same order but somewhat larger than the factors found otherwise in the investigations of dynamic electron transfer. © 2008 Wiley Periodicals, Inc. Int J Quantum Chem, 2009