Abstract
Two types of 63 Cu NMR signals and X-ray diffraction patterns of Ag x Cu 1− x I (0.75⩽ x<1.00) were observed in the γ-phase (zincblende) to α-phase (body-centered cubic) transition. The high-field signal of 63 Cu NMR in the α-phase structure is considered to be due to the positive Cu ion mainly in the octahedral 6(b) position and partially in the tetrahedral 12(d) position, by comparison with the Cu chemical shielding calculations of three types of trigonal 24(h) CuI 3 2−, tetrahedral 12(d) CuI 4 3−, and octahedral 6(b) CuI 6 5− complexes using the ab initio GAUSSIAN 94 program with a double-ζ basis set. The Ag and Cu chemical shieldings of the metal complexes are explained mainly by the paramagnetic term.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.