The ISIS Facility, The Science and Technology Facilities Council, The Rutherford Appleton Laboratory, The Harwell Science and Innovation Campus, OX11 0QX, United Kingdom.
J Phys Chem A. 2010 Dec 9;114(48):12605-12. doi: 10.1021/jp103289c. Epub 2010 Nov 15.
We have used high resolution neutron vibrational spectroscopy to study the vibrations of the model compound for arene-to-metal bonding, benzene chromium tricarbonyl, and its mesityl analogue. It is shown that all previously published assignment schemes, based on optical spectroscopy alone, are wrong, and new assignments are given in agreement with ab initio calculations.
我们使用高分辨率中子振动光谱研究了芳基-金属键模型化合物苯铬三羰基及其间二甲苯类似物的振动。结果表明，所有以前基于光学光谱单独发布的分配方案都是错误的，并根据从头算计算给出了新的分配。
