Abstract
We report a study of the electronic structures and chemical bonding of gaseous [HAuCN]- and the corresponding neutral molecule using photoelectron spectroscopy and relativistic quantum chemistry calculations. The electron affinity of the neutral HAuCN is reported to be 4.75 eV for the first time. The low-lying excited states of neutral molecule are observed and assigned according to the calculations utilizing a sophisticated electron correlation method incorporating both the scalar and spin-orbit relativistic effects. Our theoretical calculations suggest the geometry will be distorted from linear structure to the bent during the process of detaching one electron from the anion. Various chemical bonding analyses based on theoretical calculations have been performed for the titled complexes, and the apparent covalent natures of interactions between gold and the studied ligands have been verified.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: 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.
