The Orientation of the Electric Field Gradient Tensor in CO-Liganded Myoglobin

• Published in: Zeitschrift für Naturforschung C
• Main Authors: Parak, F., Thomanek, U. F., Bade, D., Wintergerst, B.
• Format: Article in Journal/Newspaper
• Language: English
• Published: Walter de Gruyter GmbH 1977
• Subjects: Sperm whale
• Online Access: http://dx.doi.org/10.1515/znc-1977-7-805; http://www.degruyter.com/view/j/znc.1977.32.issue-7-8/znc-1977-7-805/znc-1977-7-805.xml; https://www.degruyter.com/document/doi/10.1515/znc-1977-7-805/xml; https://www.degruyter.com/document/doi/10.1515/znc-1977-7-805/pdf

Abstract The EFG-tensor at the position of the Fe-atom of CO-liganded sperm whale myoglobin has been investigated by nuclear γ-resonance absorption experiments on single crystals. In addition the tem­ perature 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 C 2 -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 η z = 0.75 and the largest EFG component perpendicular to the haem plane.