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. 2023 Feb 2;127(6):1445–1457. doi: 10.1021/acs.jpca.2c08023

Table 7. Energy Values (eV), Quantum Defects (δ), and Assignments of the Rydberg Series Converging to Ionic Electronic Ground (16a′)−12A′, and First (15a′)−1Ã2A′ Excited States of C2H5NO2a,b.

(IE1)v = 11.08 eV (16a′)−1
(IE2)v = 11.51 eV (15a′)−1
En δ assignment En δ assignment
(ns ← 16a′)     (ns ← 15a′)    
7.54(2)(s,w) 1.04 3s 8.26(6)(b) 0.95 3s
9.54(5)(b) 1.02 4s 10.05(6)(s) 0.94 4s
10.22(1)(s) 1.02 5s 10.65(2)(s,w) 1.02 5s
10.53(8)(s,w) 0.99 6s      
10.77(1)(s) 0.93 7s      
(np ← 16a′)     (np ← 15a′)    
8.52(1)(s,w) 0.69 3p 8.86(9)(s,w) 0.73 3p
9.82(4)(s,w) 0.71 4p 10.22(1)(s) 0.75 4p
10.34(1)(s,w)/10.38(0)(s) 0.71/0.59 5p 10.77(1)(s) 0.71 5p
10.59(7)(w) 0.69 6p      
(nd ← 16a′)     (nd ← 15a′)    
9.48(3)(w) 0.08 3d 9.79(7)(s,w) 0.18 3d
10.20(0)(s) 0.07 4d 10.60(6)(b,w) 0.12 4d
10.52(1)(s,w) 0.07 5d      
10.71(1)(s,w) –0.07 6d      
a

(s) shoulder structure; (w) weak feature; (b) broad structure (the last decimal of the energy value is given in parentheses for these less-resolved features).

b

See text for details.