Structural reinvestigation of ammonium hypophosphite: Was dihydrogen bonding observed long ago?

Simona Marincean, Radu Custelcean, Robin S. Stein, James E. Jackson

Research output: Contribution to journalArticlepeer-review

7 Scopus citations

Abstract

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.

Original languageEnglish
Pages (from-to)45-48
Number of pages4
JournalInorganic Chemistry
Volume44
Issue number1
DOIs
StatePublished - Jan 10 2005

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