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

机译:氢键锁定的磷酸盐-磷酸盐配合物稳定性的起源中的静电

摘要

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 (see picture). The stability of the complexes can be explained in terms of the electrostatic interaction in the hydrogen-bond region. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
机译:比您想像的还要强大:从头算算表明,氢键可将磷酸盐锁定为稳定的气相络合物,表明氢键可克服阴离子-阴离子的排斥。这些复合物表现出很大的离解能垒(见图)。配合物的稳定性可以用氢键区域中的静电相互作用来解释。 ©2012 WILEY-VCH Verlag GmbH&Co. KGaA,Weinheim。

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