P═O Moiety as an Ambidextrous Hydrogen Bond Acceptor,The Journal of Physical Chemistry C

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P═O Moiety as an Ambidextrous Hydrogen Bond Acceptor
The Journal of Physical Chemistry C ( IF 3.3 ) Pub Date : 2018-01-12 00:00:00 , DOI: 10.1021/acs.jpcc.7b11299
Elena Yu. Tupikina ₁ , Michael Bodensteiner ₂ , Peter M. Tolstoy ₃ , Gleb S. Denisov ₁ , Ilya G. Shenderovich ₂

Affiliation

Hydrogen bond patterns of crystals of phosphinic, phosphonic, and phosphoric acids and their cocrystals with phosphine oxides were studied using ³¹P NMR and single-crystal X-ray diffraction. Two main factors govern these patterns and favor or prevent the formation of cocrystals. The first one is a high proton-accepting ability of the P═O moiety in these acids. As a result, this moiety effectively competes with other proton acceptors for hydrogen bonding. For example, this moiety is a stronger proton acceptor than the C═O moiety of carboxylic acids. The second factor is the inclination of the P═O moiety of both the acids and the oxides to form two hydrogen bonds at once. The peculiarity of these bonds is that they weaken each other to a little degree only. In order to highlight this point, we are using the term “ambidextrous”. These two features should govern the interactions of P═O moiety with water and other proton donors and acceptors in molecular clusters, the active sites of enzymes, soft matter, and at surfaces.

中文翻译：

P═O部分作为双键氢键受体

使用³¹研究了次膦酸，膦酸和磷酸的晶体以及它们与氧化膦的共晶体的氢键模式P NMR和单晶X射线衍射。有两个主要因素控制着这些图形，有利于或阻止了共晶的形成。第一个是这些酸中P ＝ O部分的高质子接受能力。结果，该部分有效地与其他质子受体竞争氢键。例如，该部分是比羧酸的C ＝ O部分更强的质子受体。第二个因素是酸和氧化物的P = O部分都倾向于同时形成两个氢键。这些键的独特之处在于它们之间仅在某种程度上相互削弱。为了强调这一点，我们使用术语“灵巧”。这两个特征应控制P═O部分与水以及分子簇中其他质子供体和受体，酶的活性位点，

更新日期：2018-01-12

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