Highly-excited state properties of cumulenone chlorides in the vacuum-ultraviolet

2020 ◽  
Vol 22 (21) ◽  
pp. 11838-11849
Author(s):  
Quynh L. D. Nguyen ◽  
William K. Peters ◽  
Ryan C. Fortenberry
Keyword(s):  
Excited State ◽  
Chemical Analysis ◽  
Electronic Properties ◽  
Quantum Chemical ◽  
Vacuum Ultraviolet ◽  
Organic Molecules ◽  
Quantum Chemical Analysis ◽  
Detailed Understanding ◽  
Ionization Energies ◽  
Complex Organic

A detailed understanding of VUV-driven photochemistry in complex organic molecules is challenging. This quantum chemical analysis reports the electronic properties and ionization energies up to the VUV range (6–11 eV) of the chlorinated cumulenones.

Micellar charge induced emissive response of a bio-active 3-pyrazolyl-2-pyrazoline derivative: a spectroscopic and quantum chemical analysis

RSC Advances ◽  
2014 ◽  
Vol 4 (99) ◽  
pp. 56361-56372 ◽  
Author(s):  
Arindam Sarkar ◽  
Soumyadipta Rakshit ◽  
Sayantani Chall ◽  
Soumya Sundar Mati ◽  
Dipti Singharoy ◽  
...  
Keyword(s):  
Excited State ◽  
Chemical Analysis ◽  
Quantum Chemical ◽  
Quantum Chemical Analysis ◽  
Homo Lumo ◽  
Pyrazoline Derivative

HOMO–LUMO distribution of PYZ in its ground and first singly excited state.

Sign in / Sign up

Export Citation Format

Share Document