TY - JOUR
T1 - Structural reinvestigation of ammonium hypophosphite
T2 - Was dihydrogen bonding observed long ago?
AU - Marincean, Simona
AU - Custelcean, Radu
AU - Stein, Robin S.
AU - Jackson, James E.
PY - 2005/1/10
Y1 - 2005/1/10
N2 - The past decade has seen the explosive emergence of "dihydrogen bonds", interactions between the electrons of M-H σ-bonds, where M is less electronegative than H (M = Al, B, Ga, Ir, Mo, Mn, Os, Re, Ru, W) and traditional proton donors. But 70 years ago, such an interaction was proposed by Zachariasen and Mooney [J. Chem. Phys. 1934, 2, 34-37] on the basis of their single-crystal X-ray diffraction structure (heavy atoms positions only) of ammonium hypophosphite (NH4H2PO2). We redetermined this structure at high resolution with a focus on the hydrogen atoms, using a modern diffractometer equipped with a CCD detector. Molecular orbital calculations were performed to investigate the charge density and the bond polarity of the P-H bonds and to assess their potential for participation in dihydrogen bonds. Neither the theory nor the X-ray structure supports the original claim of H⋯H interactions in this salt.
AB - The past decade has seen the explosive emergence of "dihydrogen bonds", interactions between the electrons of M-H σ-bonds, where M is less electronegative than H (M = Al, B, Ga, Ir, Mo, Mn, Os, Re, Ru, W) and traditional proton donors. But 70 years ago, such an interaction was proposed by Zachariasen and Mooney [J. Chem. Phys. 1934, 2, 34-37] on the basis of their single-crystal X-ray diffraction structure (heavy atoms positions only) of ammonium hypophosphite (NH4H2PO2). We redetermined this structure at high resolution with a focus on the hydrogen atoms, using a modern diffractometer equipped with a CCD detector. Molecular orbital calculations were performed to investigate the charge density and the bond polarity of the P-H bonds and to assess their potential for participation in dihydrogen bonds. Neither the theory nor the X-ray structure supports the original claim of H⋯H interactions in this salt.
UR - http://www.scopus.com/inward/record.url?scp=84962476350&partnerID=8YFLogxK
U2 - 10.1021/ic048657z
DO - 10.1021/ic048657z
M3 - Article
AN - SCOPUS:84962476350
SN - 0020-1669
VL - 44
SP - 45
EP - 48
JO - Inorganic Chemistry
JF - Inorganic Chemistry
IS - 1
ER -