STRUCTURAL MEASUREMENTS OF HYDROGEN-BONDED VAN-DER-WAALS DIMERS AND TRIMERS BY ROTATIONAL COHERENCE SPECTROSCOPY - 2,5-DIPHENYLOXADIAZOLE (PPD) WITH WATER

被引:13
作者
TROXLER, T
SMITH, PG
TOPP, MR
机构
[1] Department of Chemistry, University of Pennsylvania, Philadelphia
关键词
D O I
10.1016/0009-2614(93)87075-E
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Rotational coherence spectroscopy involving polarized, time-correlated single-photon counting techniques has been used to measure the excited-state structures of hydrogen-bonded complexes between PPD and water at the 1:1 and 1:2 levels of aggregation. Structure determinations involved comparison of measured and simulated RCS traces using the measured B and C rotational constants. PPD/(H2O)1 reveals a singly hydrogen-bonded, in-plane structure with an N...H-O distance of 2.95+/-0.1 angstrom. The best structural estimate for the 1:2 complex, PPD/(H2O(2, consists of a water dimer, hydrogen bonded to one nitrogen atom of PPD.
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页码:371 / 377
页数:7
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