High-resolution spectroscopy of small transition metal molecules: recent experimental and theoretical progress on group 5 diatomics

摘要

Abstract: Current understanding of spectroscopy and bonding in group 5 metal dimers is reviewed and new experimental and theoretical data are presented. In particular, density functional calculations on the lowest triplet and the lowest single state of VNb and on the ground state of the singly charged cations V$-2$/$+$PLU$/, VNb$+$PLU$/ and Nb$-2$/$+$PLU$/ are reported and discussed for the first time.!39