Mixed transitions in the UV photodissociation of propargyl chloride revealed by slice imaging and multireference ab initio calculations

2018 ◽  
Vol 20 (43) ◽  
pp. 27474-27481 ◽  
Author(s):  
Casey D. Foley ◽  
Baptiste Joalland ◽  
S. Tahereh Alavi ◽  
Arthur G. Suits
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Multiphoton Ionization ◽  
Spin Orbit ◽  
Slice Imaging

Resonance-enhanced multiphoton ionization (REMPI) and DC slice imaging were used to detect photoproducts Cl (2P3/2), spin–orbit excited Cl* (2P1/2), and C3H3 in the photodissociation of propargyl chloride at 212 and 236 nm.

scholarly journals Energy level shifts in two-step spin–orbit coupling ab initio calculations

2010 ◽  
Vol 498 (1-3) ◽  
pp. 226-228 ◽  
Author(s):  
Goar Sánchez-Sanz ◽  
Zoila Barandiarán ◽  
Luis Seijo
Keyword(s):  
Energy Level ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Level Shifts
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