Charge transfer via the dative N-B bond and dihydrogen contacts. Experimental and theoretical electron density studies of small Lewis acid-base adducts.

@article{Mebs2010ChargeTV,
  title={Charge transfer via the dative N-B bond and dihydrogen contacts. Experimental and theoretical electron density studies of small Lewis acid-base adducts.},
  author={Stefan Mebs and Simon Grabowsky and Diana F{\"o}rster and Rainer Kickbusch and Monika A Hartl and Luke L. Daemen and Wolfgang Morgenroth and Peter Luger and Beate Paulus and Dieter Lentz},
  journal={The journal of physical chemistry. A},
  year={2010},
  volume={114 37},
  pages={10185-96}
}
The electronic characteristics of the dative N−B bond in three Lewis acid−base adducts, hydrazine borane, hydrazine bisborane, and ammonia trifluoroborane, are analyzed by an approach combining experimental electron density determination with a broad variety of theoretical calculations. Special focus is directed to the weak dihydrogen contacts in hydrazine borane. The Atoms In Molecules partitioning scheme is complemented by additional methods like the Source Function, and the Electron… CONTINUE READING