Structural Reinvestigation of Ammonium Hypophosphite: Was Dihydrogen Bonding Observed Long Ago?
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- 作者：Simona Marincean ; Radu Custelcean ; Robin S. Stein ; and James E. Jackson
- 刊名：Inorganic Chemistry
- 出版年：2005
- 出版时间：January 10, 2005
- 年：2005
- 卷：44
- 期：1
- 页码：45 - 48
- 全文大小：106K
- 年卷期：v.44,no.1(January 10, 2005)
- ISSN：1520-510X
文摘
The past decade has seen the explosive emergence of "dihydrogen bonds", interactions between the electrons ofM-H 
hars/sigma.gif" BORDER=0 >-bonds, where M is less electronegative than H (M = Al, B, Ga, Ir, Mo, Mn, Os, Re, Ru, W) and traditionalproton 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) ofammonium hypophosphite (NH4H2PO2). We redetermined this structure at high resolution with a focus on thehydrogen atoms, using a modern diffractometer equipped with a CCD detector. Molecular orbital calculations wereperformed to investigate the charge density and the bond polarity of the P-H bonds and to assess their potentialfor participation in dihydrogen bonds. Neither the theory nor the X-ray structure supports the original claim ofH···H interactions in this salt.
hars/sigma.gif" BORDER=0 >-bonds, where M is less electronegative than H (M = Al, B, Ga, Ir, Mo, Mn, Os, Re, Ru, W) and traditionalproton 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) ofammonium hypophosphite (NH4H2PO2). We redetermined this structure at high resolution with a focus on thehydrogen atoms, using a modern diffractometer equipped with a CCD detector. Molecular orbital calculations wereperformed to investigate the charge density and the bond polarity of the P-H bonds and to assess their potentialfor participation in dihydrogen bonds. Neither the theory nor the X-ray structure supports the original claim ofH···H interactions in this salt.