HYDROGEN-BONDING CONTRIBUTIONS TO THE LATTICE ENERGY OF SALTS FOR 2ND HARMONIC-GENERATION

被引：27

作者：

AAKEROY, CB

SEDDON, KR

LESLIE, M

机构：

[1] UNIV SUSSEX,SCH MOLEC SCI,BRIGHTON BN1 9QJ,E SUSSEX,ENGLAND

[2] SERC,DARESBURY LAB,WARRINGTON WA4 4AD,CHESHIRE,ENGLAND

来源：

STRUCTURAL CHEMISTRY | 1992年 / 3卷 / 01期

关键词：

D O I：

10.1007/BF00671981

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The lattice energies of a series of organic dihydrogenphosphate salts capable of second harmonic generation (SHG) have been calculated. These calculations, coupled with empirical data, indicate that a minimum of 20-25% of the lattice energy arises from hydrogen-bond interactions. Hydrogen bonding is shown to be a strong enough force to have a profound effect on the overall packing and crystal geometry of such ionic materials, and is thus an important factor to consider for crystal engineering.

引用

页码：63 / 65

页数：3

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