Study of the N-H{hor{underscore}ellipsis}H-B dihydrogen bond including the crystal structure of BH{sub 3}NH{sub 3} by neutron diffraction
Boraneamines tend to have close N-H{sup {delta}+}{hor{underscore}ellipsis}{sup {delta}{minus}}H-B contacts as a result of the intermolecular interaction of the NH proton with the BH bond by a novel type of hydrogen bond (the dihydrogen bond). A CSD structural search provides characteristic metric data for the interaction: the H{hor{underscore}ellipsis}H distance is in the range 1.7--2.2 {angstrom}, and the N-H{hor{underscore}ellipsis}H group tends to be linear while B-H{hor{underscore}ellipsis}H tends to be bent. The reported X-ray structure of BH{sub 3}NH{sub 3} seemed to provide a singular exception in having bent N-H{hor{underscore}ellipsis}H and linear B-H{hor{underscore}ellipsis}H. Neutron diffraction structure of BH{sub 3}NH{sub 3} now shows that the B and N atoms must be reversed from the assignment previously published. With the correct assignment the authors find the expected bent B-H{hor{underscore}ellipsis}H and linear N-H{hor{underscore}ellipsis}H arrangement in the closest intermolecular N-H{hor{underscore}ellipsis}H-B interaction (d{sub HH} = 2.02 {angstrom}).
- Research Organization:
- Stockholm Univ., (SE); Brookhaven National Lab., Upton, NY (US)
- Sponsoring Organization:
- National Science Foundation (NSF); USDOE
- DOE Contract Number:
- AC02-98CH10886
- OSTI ID:
- 20000105
- Journal Information:
- Journal of the American Chemical Society, Vol. 121, Issue 27; Other Information: PBD: 14 Jul 1999; ISSN 0002-7863
- Country of Publication:
- United States
- Language:
- English
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