Asymmetry in angular rigidity of hydrogen-bonded complexes

Yu ZH; Klemperer W

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Asymmetry in angular rigidity of hydrogen-bonded complexes

机译：氢键配合物的角刚度不对称

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摘要

The asymmetry in angular rigidity of the proton donor and proton acceptor of hydrogen-bonded hydrogen fluoride binary complexes is investigated. The intermolecular bending frequency of HF, as the proton donor, is linearly proportional to the square root of the dissociation energy, whereas that of the proton acceptor is always much lower. The asymmetry, measured by the ratio of bending elastic constants of HF to that of the proton acceptor, is generally > 2, and varies pronouncedly with the acceptors reaching values > 20. Molecules with nitrogen as the bridged acceptor atom show an angular rigidity nearly one order of magnitude greater than the group with oxygen as the proton acceptor.

机译：研究了氢键氟化氢二元配合物的质子供体和质子受体的角刚度的不对称性。作为质子供体的HF的分子间弯曲频率与离解能的平方根成线性比例，而质子受体的弯曲频率总是低得多。通过HF与质子受体的弯曲弹性常数之比测得的不对称性通常> 2，并且随着受体的值> 20发生显着变化。以氮作为桥联的受体原子的分子显示出几乎为1的角刚度数量级大于以氧为质子受体的基团。

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来源
《Proceedings of the National Academy of Sciences of the United States of America》 |2005年第36期|p. 12667-12669|共3页
作者
Yu ZH; Klemperer W;
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作者单位

Harvard Univ, Dept Chem & Biol Chem, Cambridge, MA 02138 USA;

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收录信息美国《科学引文索引》(SCI);美国《生物学医学文摘》(MEDLINE);美国《化学文摘》(CA);
原文格式 PDF
正文语种 eng
中图分类自然科学总论;
关键词
hydrogen bonding; hydrogen fluoride; intermolecular interactions; MICROWAVE ROTATIONAL SPECTRUM; DER-WAALS COMPLEXES; GAS-PHASE; HF DIMER; SPECTROSCOPIC INVESTIGATIONS; VIBRATIONAL PREDISSOCIATION; DISSOCIATION-ENERGIES; BONDING INTERACTIONS; LIQUID WATER; AB-INITIO;

机译：氢键;氟化氢;分子间相互作用;微波旋转光谱;气体后配合物;气相;HF二聚体;光谱学;振动预离解;离解能;键合作用;液体;AB-惰性;

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8. A high level Ab initio study of the anionic hydrogen-bonded complexes FH-CN-, FH-NC-, H2O-CN- and H2O-NC- [R] . Lee, Timothy J. 1989

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Asymmetry in angular rigidity of hydrogen-bonded complexes

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