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NWHClI:一个小巧紧凑的手性分子,其在振动光谱中具有较大的宇称破缺效应。

NWHClI: a small and compact chiral molecule with large parity-violation effects in the vibrational spectrum.

机构信息

Centre for Theoretical Chemistry and Physics, New Zealand Institute for Advanced Study, Massey University Albany, North Shore City, Auckland, New Zealand.

出版信息

Angew Chem Int Ed Engl. 2010 Apr 6;49(16):2941-3. doi: 10.1002/anie.200906990. Epub 2010 Mar 23.

Abstract

Small but mighty: An unprecedented large parity-violation energy difference of 0.7 Hz for the N-W stretching frequency of N≡WHClI, which conveniently lies in the CO(2) laser frequency range, is predicted from relativistic density functional theory. This result could lead to the first successful detection of such effects in chiral molecules.

摘要

小而强大

相对论密度泛函理论预测,N≡WHClI 的 N-W 伸缩频率的前所未有的大的宇称破坏能量差为 0.7Hz,这恰好位于 CO2 激光频率范围内。这一结果可能导致在手性分子中首次成功探测到这种效应。

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