Positively Charged Phosphorus as a Hydrogen Bond Acceptor

作者: Anne S Hansen , Lin Du , Henrik G Kjaergaard , None

DOI: 10.1021/JZ502150D

关键词: Organic chemistryAtomHydrogen bondPhosphineSpectral lineChemistrySpectroscopyCrystallographyElectronegativityMatrix isolationAcceptor

摘要: Phosphorus (P) is an element that essential to the life of all organisms, and atmospheric detection phosphine suggests existence a volatile biogeochemical P cycle. Here, we investigate ability participate in formation OH···P hydrogen bonds. Three bimolecular alcohol–trimethylphosphine complexes have been detected. Initially, were detected using matrix isolation spectroscopy, which favors complex formation. Subsequently, fundamental OH-stretching vibration was observed room-temperature gas-phase spectra. On basis our measured frequency red shifts quantum chemical calculations, find acceptor atom similar strength O S three P, O, atoms are weaker acceptors than N. The calculations show both H bond partial positive charges, as expected from their electronegativities. However, electrostatic potentials negative potential...

参考文章(61)
M. Kulmala, How Particles Nucleate and Grow Science. ,vol. 302, pp. 1000- 1001 ,(2003) , 10.1126/SCIENCE.1090848
M. A. Hussein, D. J. Millen, Hydrogen bonding in the gas phase. Part 1.—Infra-red spectroscopic investigation of amine–alcohol systems Journal of the Chemical Society, Faraday Transactions. ,vol. 70, pp. 685- 692 ,(1974) , 10.1039/F29747000685
Austin J. Barnes, Zofia Mielke, Matrix effects on hydrogen-bonded complexes trapped in low-temperature matrices Journal of Molecular Structure. ,vol. 1023, pp. 216- 221 ,(2012) , 10.1016/J.MOLSTRUC.2012.05.020
E.N. Baker, R.E. Hubbard, Hydrogen bonding in globular proteins Progress in Biophysics & Molecular Biology. ,vol. 44, pp. 97- 179 ,(1984) , 10.1016/0079-6107(84)90007-5
Tina Scharge, Thomas Häber, Martin A. Suhm, Quantitative chirality synchronization in trifluoroethanol dimers Physical Chemistry Chemical Physics. ,vol. 8, pp. 4664- 4667 ,(2006) , 10.1039/B609868A
I. Doroshenko, V. Pogorelov, V. Sablinskas, V. Balevicius, Matrix-isolation study of cluster formation in methanol: O–H stretching region Journal of Molecular Liquids. ,vol. 157, pp. 142- 145 ,(2010) , 10.1016/J.MOLLIQ.2010.09.003
R. Wugt Larsen, Philipp Zielke, Martin A. Suhm, Hydrogen-bonded OH stretching modes of methanol clusters: A combined IR and Raman isotopomer study Journal of Chemical Physics. ,vol. 126, pp. 194307- 194307 ,(2007) , 10.1063/1.2732745
J. Cioslowski, A new population analysis based on atomic polar tensors Journal of the American Chemical Society. ,vol. 111, pp. 8333- 8336 ,(1989) , 10.1021/JA00204A001
Mivsam Yekutiel, Joseph R Lane, Priyanka Gupta, Henrik G Kjaergaard, None, Calculated Spectroscopy and Atmospheric Photodissociation of Phosphoric Acid Journal of Physical Chemistry A. ,vol. 114, pp. 7544- 7552 ,(2010) , 10.1021/JP1007957
R. J. CHARLSON, S. E. SCHWARTZ, J. M. HALES, R. D. CESS, J. A. COAKLEY, J. E. HANSEN, D. J. HOFMANN, Climate Forcing by Anthropogenic Aerosols Science. ,vol. 255, pp. 423- 430 ,(1992) , 10.1126/SCIENCE.255.5043.423