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氢键锁定的磷酸盐-磷酸盐配合物稳定性源于静电作用。

Electrostatics at the origin of the stability of phosphate-phosphate complexes locked by hydrogen bonds.

机构信息

Institut de Ciència de Materials de Barcelona (CSIC), Campus UAB, Bellaterra, Spain.

出版信息

Chemphyschem. 2012 Apr 23;13(6):1421-4. doi: 10.1002/cphc.201200068. Epub 2012 Mar 7.

DOI:10.1002/cphc.201200068
PMID:22407787
Abstract

Stronger than you'd think: Ab initio calculations reveal that hydrogen bonds can lock phosphates into stable gas-phase complexes, showing that hydrogen bonding can overcome anion-anion repulsion. These complexes present a large energetic barrier of dissociation. The stability of the complexes can be explained in terms of the electrostatic interaction in the hydrogen-bond region.

摘要

比你想象的要强

从头算揭示氢键能将磷酸根稳定地锁在气相复合物中，表明氢键可以克服阴离子-阴离子排斥。这些复合物具有很大的离解能垒。复合物的稳定性可以用氢键区域的静电相互作用来解释。

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