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Phosphine polymerization by nitric oxide: experimental characterization and theoretical predictions of mechanism.
| Content Provider | Semantic Scholar |
|---|---|
| Author | Zhao, Yi-Lei Flora, Jason W. Thweatt, William David Garrison, Sharon Gonzalez, Carlos Jesus Castaneda Houk, Kendall N. Márquez, Misleydis García |
| Copyright Year | 2009 |
| Abstract | A yellow solid material [P(x)H(y)] has been obtained in the reaction of phosphine (PH(3)) and nitric oxide (NO) at room temperature and characterized by thermogravimetric analysis mass spectrometry (TGA-MS) and attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy. In this work using complete basis set (CBS-QB3) methods a plausible mechanism has been investigated for phosphine polymerization in the presence of nitric oxide (NO). Theoretical explorations with the ab initio method suggest (a) instead of the monomer the nitric oxide dimer acts as an initial oxidant, (b) the resulting phosphine oxides (H(3)P=O <--> H(3)P(+)O(-)) in the gas phase draw each other via strong dipolar interactions between the P-O groups, and (c) consequently an autocatalyzed polymerization occurs among the phosphine oxides, forming P-P chemical bonds and losing water. The possible structures of polyhydride phosphorus polymer were discussed. In the calculations a series of cluster models was computed to simulate polymerization. |
| Starting Page | 342 |
| Ending Page | 342 |
| Page Count | 1 |
| File Format | PDF HTM / HTML |
| Alternate Webpage(s) | https://ws680.nist.gov/publication/get_pdf.cfm?pub_id=832368 |
| PubMed reference number | 19102679v1 |
| Alternate Webpage(s) | https://doi.org/10.1021/ic801917a |
| DOI | 10.1021/ic801917a |
| Journal | Inorganic chemistry |
| Volume Number | 48 |
| Issue Number | 3 |
| Language | English |
| Access Restriction | Open |
| Subject Keyword | Cyclic N-Oxides Nitric Oxide Oxidants Oxides Phosphine:MCnc:Pt:Air:Qn Phosphorus Polymers Spectrometry Spectroscopy, Fourier Transform Infrared TBX1 wt Allele monomer phosphine |
| Content Type | Text |
| Resource Type | Article |
