Diatomic molecular-orbital correlation diagrams for Penning and associative ionization

1977 ◽  
Vol 15 (2) ◽  
pp. 635-646 ◽  
Author(s):  
John C. Bellum ◽  
David A. Micha
Keyword(s):  
Molecular Orbital ◽  
Associative Ionization ◽  
Orbital Correlation

Decomposition Mechanism of 1,2-Dioxetane

1974 ◽  
Vol 52 (23) ◽  
pp. 3837-3843 ◽  
Author(s):  
Gene Barnett
Keyword(s):  
Thermal Decomposition ◽  
Molecular Orbital ◽  
Equilibrium Structure ◽  
Decomposition Mechanism ◽  
Correlation Diagram ◽  
Molecular Orbital Calculations ◽  
Temperature Dependent ◽  
Planar Configuration ◽  
Orbital Correlation

An orbital correlation diagram was constructed for the thermal decomposition of 1,2-dioxetane into products that allow chemiluminescence. A decomposition mechanism is proposed that gives a temperature dependent rupture of the OO bond, thus allowing ring twisting which is followed by the rupture of the CC bond. This mechanism is consistent with results of the thermochemical analysis for this type of reaction. The equilibrium structure of 1,2-dioxetane was determined from the molecular orbital calculations and gave a planar configuration for the COOC ring.

Molecular orbital correlation diagrams for He2, He2+, N2, N2+, CO, and CO+

1977 ◽  
Vol 66 (7) ◽  
pp. 3031-3038 ◽  
Author(s):  
Walter C. Ermler ◽  
Robert S. Mulliken ◽  
Arnold C. Wahl
Keyword(s):  
Molecular Orbital ◽  
Orbital Correlation

Interactions between Methylene Blue and Pullulan According to Molecular Orbital Calculations

2020 ◽  
Vol 140 (11) ◽  
pp. 529-533
Author(s):  
Pasika Temeepresertkij ◽  
Saranya Yenchit ◽  
Michio Iwaoka ◽  
Satoru Iwamori
Keyword(s):  
Methylene Blue ◽  
Molecular Orbital ◽  
Molecular Orbital Calculations
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