Templeton L K, Templeton D H
J Synchrotron Radiat. 1995 Jan 1;2(Pt 1):31-5. doi: 10.1107/S0909049594009854.
Second-rank tensors describing how the real and imaginary dispersion terms f' and f'' depend on photon polarization for Br atoms substituted on a benzene ring have been measured at six energies near the Br K absorption edge in diffraction experiments with synchrotron radiation and crystals of homocubanecarboxylic acid p-bromoanilide. Resonance with a sigma antibonding orbital causes f' to change with polarization as much as 4.3 and f''' as much as 7.5. The tensors for two independent Br atoms are equal, uniaxial and aligned with the respective Br-C bond. Absorption spectra show the average effect of two tensors with different orientations. Atomic coordinates from a new refinement of the structure are listed.
在使用同步辐射和对溴苯甲酸异立方烷酰胺晶体进行的衍射实验中,已测量了描述苯环上取代的溴原子的实部和虚部色散项f'和f''如何依赖于光子极化的二阶张量,测量是在溴K吸收边附近的六个能量下进行的。与σ反键轨道的共振导致f'随极化变化高达4.3,f''随极化变化高达7.5。两个独立溴原子的张量是相等的、单轴的,并且与各自的Br-C键对齐。吸收光谱显示了两个不同取向张量的平均效应。列出了结构新精修后的原子坐标。