Quantifying hydrogen bond cooperativity in water: VRT spectroscopy of the water tetramer

被引：411

作者：

Cruzan, JD ^{[1
]}

Braly, LB ^{[1
]}

Liu, K ^{[1
]}

Brown, MG ^{[1
]}

Loeser, JG ^{[1
]}

Saykally, RJ ^{[1
]}

机构：

[1] UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720

来源：

SCIENCE | 1996年 / 271卷 / 5245期

关键词：

D O I：

10.1126/science.271.5245.59

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：

Measurement of the far-infrared vibration-rotation tunneling spectrum of the perdeuterated water tetramer is described, Precisely determined rotational constants and relative intensity measurements indicate a cyclic quasi-planar minimum energy structure, which is in agreement with recent ab initio calculations, The O-O separation deduced from the data indicates a rapid exponential convergence to the ordered bulk value with increasing cluster size. Observed quantum tunneling splittings are interpreted in terms of hydrogen bond rearrangements connecting two degenerate structures.

引用

页码：59 / 62

页数：4

共 35 条

[1] GEOMETRIES, ENERGIES, AND ELECTROSTATIC PROPERTIES OF NONADDITIVELY OPTIMIZED SMALL WATER CLUSTERS [J].