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. Author manuscript; available in PMC: 2015 Apr 20.
Published in final edited form as: Photochem Photobiol. 2014 Jan 16;90(2):313–328. doi: 10.1111/php.12227

Table 4.

N–O and N–C bond dissociation enthalpies in the gas phase, calculated using B3LYP/aug-cc-pVDZ DFT.

Structure N–O
R = OMe (kcal mol−1)		 N–C
R = Et (kcal mol−1)
graphic file with name nihms596551t18.jpg 57 95
graphic file with name nihms596551t19.jpg 53 89
graphic file with name nihms596551t20.jpg 57 96
graphic file with name nihms596551t21.jpg 64 112
graphic file with name nihms596551t22.jpg 45 79
55* 85*
*

Experimental values from Ref. (75).