✍ Scribed by R.N. Dixon; C.A. Rosser
No coin nor oath required. For personal study only.
Chemistty~~ Tlrc Utlisersity sf Bristol. Bristol BSS ? TS. UK Rcccivcd 4 31~ 19S4 l.ivr vibronic transitions of tbc x1 A"-%'_~' band s~stcm 01' DNO have been studied using laser-induced fluorusccncr excitation, and rotational amlyscs cxricd out. Breaking-off 1~s been dctccted in a total of six sub-bands in three of these transitions. Extrapolation of tltc J-dcpcndcnt predissociation thresholds toJ= 0. using 3 calculation based on a potential cncqy surface for HNO/DNO, leads to an improved value for the dissociation energ!-0: = 17030 T IO cm-' for DNO + D + NO('n). The ii/D isorope shifts ofDo o, and of thcJ dcpendcncc of the threshold.
confirm an earlier proposal rhar twzdissocjation follo\s 3 rotationlllly assisted intcrnzt conversion to the pround-state continuum.
📜 SIMILAR VOLUMES
## Abstract Six density function theory methods (B3LYP, B3P86, MPWB1K1, MPWPW91, PBEPBE, TPSS1KCIS3) were used to calculate bond dissociation enthalpies of nitro compounds, where the B3P86 method was found to give the most accurate predictions. Using the B3P86 method __meta__‐ and __para__‐substitu