Refinements in the description of excited VRT states of the water dimer
Refinements in the description of excited VRT states of the water dimer
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DOI：
10.1080/00268970601153373
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发表时间：
2007-03-01
影响因子：
1.7
通讯作者：
Saykally, R. J.
中科院分区：
文献类型：
--
作者：
Harker, H. A.;Keutsch, F. N.;Saykally, R. J.
广泛的新的光谱测量相结合的基态数据的全球分析，以重新审视和完善的描述的激发振动旋转隧道（VRT）状态的水二聚体。值得注意的是，六个新的“施主扭转”子带的分析确定，目前的振动分配的K-a = 1堆栈重新评估，以前报道的（H2O）（2）施主扭转泛音（DT）（2）和氢键拉伸（S）的数据集进行了扩充，和四个新的（S）子带已被测量。异常大的科里奥利效应的预测，激发态E-2 E-1的分配得到加强，实验确定基态AS分裂（H2O）（2）从激发态数据的可能性进行了讨论。
Extensive new spectroscopic measurements are combined with a global analysis of the ground state data in order to re-examine and to refine the description of the excited vibration rotation tunneling (VRT) states of the water dimer. Notably, six new 'donor torsion' subbands are analytically identified, current vibrational assignments of the K-a =1 stacks are reassessed, the previously reported (H2O)(2) donor torsion overtone (DT)(2) and hydrogen bond stretch (S) data sets are augmented, and four new (S) subbands have been measured. Unusually large Coriolis effects are predicted, excited state E-2 E-1 assignments are reinforced, and possibilities of experimentally determining ground state AS splitting in (H2O)(2) from excited state data are discussed.