On the electronic structures and electron affinities of the m -benzoquinone (BQ) diradical and the o -, p -BQ molecules: A synergetic photoelectron spectroscopic and theoretical study

Journal of Physical Chemistry A

Volumn 115, Issue 15, 2011, Pages 3201-3207

  Fu, Qiang ^a,b   Yang, Jinlong ^a,b   Wang, Xue Bin ^c  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

^b PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^c WASHINGTON STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB-INITIO ELECTRONIC STRUCTURE CALCULATIONS; BAND GAPS; BENZOQUINONES; BULK MATERIALS; CLEAR BANDS; CONVERSION PROCESS; DIRADICALS; LARGE BAND; LOW TEMPERATURES; MOLECULAR PROPERTIES; PHOTO-DETACHMENT; PHOTON ENERGY; RADICAL ANIONS; SINGLET GROUND STATE; SPECTRAL PATTERNS; SPECTROSCOPIC PROBES; STATE FEATURE; THEORETICAL STUDY; TRIPLET BAND;

CALCULATIONS; CHEMICAL STABILITY; DENSITY FUNCTIONAL THEORY; ELECTRIC EXCITATION; ELECTRON AFFINITY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENERGY CONVERSION; ENERGY GAP; EXCITED STATES; GROUND STATE; ISOMERS; MOLECULAR GRAPHICS; MOLECULES; NEGATIVE IONS; PHOTONS;

PHOTOELECTRON SPECTROSCOPY;

BENZOQUINONE; BENZOQUINONE DERIVATIVE; FREE RADICAL;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ELECTRON; QUANTUM THEORY; X RAY PHOTOELECTRON SPECTROSCOPY;

BENZOQUINONES; ELECTRONS; FREE RADICALS; MOLECULAR STRUCTURE; PHOTOELECTRON SPECTROSCOPY; QUANTUM THEORY;

EID: 79954603870     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp1120542     Document Type: Article

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