NO3- anions can act as Lewis acid in the solid state

被引：78
作者：
Bauza, Antonio [1 ]
Frontera, Antonio [1 ]
Mooibroek, Tiddo J. [2 ,3 ]
机构：
[1] Univ Illes Balears, Dept Chem, Carretera Valldemossa Km 7-5, Palma De Mallorca 07122, Baleares, Spain
[2] Univ Amsterdam, vant Hoff Inst Mol Sci, Fac Nat Wetenschappen Wiskunde Informat, Sci Pk 904, NL-1098 XH Amsterdam, Netherlands
[3] Univ Bristol, Sch Chem, Fac Sci, Bristol BS8 1TS, Avon, England
来源：
NATURE COMMUNICATIONS | 2017年 / 8卷
关键词：
RECEPTOR; BOND;
D O I：
10.1038/ncomms14522
中图分类号：
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号：
07 ; 0710 ; 09 ;
摘要：
Identifying electron donating and accepting moieties is crucial to understanding molecular aggregation, which is of pivotal significance to biology. Anions such as NO3- are typical electron donors. However, computations predict that the charge distribution of NO3- is anisotropic and minimal on nitrogen. Here we show that when the nitrate's charge is sufficiently dampened by resonating over a larger area, a Lewis acidic site emerges on nitrogen that can interact favourably with electron rich partners. Surveys of the Cambridge Structural Database and Protein Data Bank reveal geometric preferences of some oxygen and sulfur containing entities around a nitrate anion that are consistent with this 'pi-hole bonding' geometry. Computations reveal donor-acceptor orbital interactions that confirm the counterintuitive Lewis p-acidity of nitrate.
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页数：6
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