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We report calculations of Born-Oppenheimer potential energy curves of the chromium-rubidium heteronuclear molecule 52Cr-87Rb, and the long-range dispersion coefficient for the interaction between ground state Cr and Rb atoms. Our calculated van der Waals coefficient (C6=1770 a.u.) has an expected error of 3%. The ground state 6Sigma+ molecule at its equilibrium separation has a permanent electric dipole moment of de (Re=3.34 A) = 2.90 D. We investigate the hyperfine and dipolar collisions between trapped Cr and Rb atoms, finding elastic to inelastic cross section ratio of 100-1000.

The bonding in the (5,3)Sigma - and 3Delta states of FeCO, the (3,1)Sigma + , 3Delta, and 3Pi states of NiCO, and the 2Sigma + state of CuCO are analyzed using the constrained-space orbital-variation (CSOV) technique for both (CASSCF) and SCF wave functions. The bonding is discussed in terms of sigma repulsion between the metals 4s and the CO 5-sigma and CO-to-metal sigma donation when there is an empty or partly occupied d-sigma orbital and metal-to-CO 2pi(asterisk) backdonation. The bonding is compared for the different metals and between the different states.