Parak F, Thomanek U F, Bade D, Wintergerst B
Z Naturforsch C Biosci. 1977 Jul-Aug;32(7-8):507-12. doi: 10.1515/znc-1977-7-805.
The EFG-tensor at the position of the Fe-atom of CO-liganded sperm whale myoglobin has been investigated by nuclear gamma-resonance absorption experiments on single crystals. In addition the temperature dependence of the quadrupole splitting of the 14.4 keV level of the iron nucleus was measured. An unambiguous solution for the magnitude and the orientation of the field gradient tensor could only be obtained with the assumption that a C2-axis perpendicular to the haem plane is one principal axis of the electric field gradient tensor. Within this solution the electronic structure of the iron is described by a singlet ground state with Nz = 0.75 and the largest EFG component perpendicular to the haem plane.
通过对单晶进行核伽马共振吸收实验，研究了与一氧化碳配位的抹香鲸肌红蛋白中铁原子位置的EFG张量。此外，还测量了铁核14.4keV能级四极分裂的温度依赖性。只有在假设垂直于血红素平面的C2轴是电场梯度张量的一个主轴的情况下，才能得到场梯度张量大小和方向的明确解。在该解中，铁的电子结构由基态单重态描述，Nz = 0.75，且垂直于血红素平面的EFG分量最大。
