. Author manuscript; available in PMC: 2012 Jun 29.

Published in final edited form as: J Am Chem Soc. 2011 Jun 7;133(25):9762–9774. doi: 10.1021/ja109178q

Table 4.

Summary of MCD and Electronic Absorption Bands for I_Mo(V).

	Energy		Oscillator Strength (f)
	Absorption	MCD	Experimental	Calculated (SORCI)
Band 1	12,250	12,375	.002	.002 (.001)
Band 2	15,050	15,375	.024	.010 (.006)
Band 3	18,080	17,660	.023	.061 (.028)
Band 4	19,550	18,920	.009	~.001 (<.001)
Band 5	21,250	21,330	.020	.017 (.014)
Band 6	23,905	23,615	.053	.100 (.050)
Band 7	n.a.	25,895	n.a.^a	.020 (.010)

Since no apparent maximum is observed in the electronic absorption spectrum of I_Mo(V), the oscillator strength of this band could not be accurately determined.