| Literature DB >> 23883058 |
Orion Shih1, Alice H England, Gregory C Dallinger, Jacob W Smith, Kaitlin C Duffey, Ronald C Cohen, David Prendergast, Richard J Saykally.
Abstract
The formation of like-charge guanidinium-guanidinium contact ion pairs in water is evidenced and characterized by X-ray absorption spectroscopy and first-principles spectral simulations based on molecular dynamics sampling. Observed concentration-induced nitrogen K-edge resonance shifts result from π* state mixing and the release of water molecules from each first solvation sphere as two solvated guanidinium ions associate into a stacked pair configuration. Possible biological implications of this counterintuitive cation-cation pairing are discussed.Entities:
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Year: 2013 PMID： 23883058 DOI： 10.1063/1.4813281
Source DB: PubMed Journal: J Chem Phys ISSN： 0021-9606 Impact factor: 3.488