RELATIONSHIP AMONG FORCE-CONSTANTS IMPLIED BY THE PRINCIPLE OF BOND-ORDER CONSERVATION IN CHEMISORBED SYSTEMS

We consider the implications of the bond-order conservation Morse potential (BOC-MP) model for some vibrational force constants and molecular structural parameters of polyatomic adsorbates on surfaces. We show that a form of the Pauling-Badger rule results from the principle of bond order conservation and, more importantly, that relationships among vibrational force constants arise from the conservation of bond order. We give as examples the chemisorption of SCH3 and SH on Pd(111).