Electronic structures of polysilanes and related compounds

1996 ◽  
pp. 403-406
Author(s):  
K. Seki ◽  
H. Ishii ◽  
A. Yuyama ◽  
M. Watanabe ◽  
K. Fukui ◽  
...  
Keyword(s):  
Electronic Structures ◽  
Related Compounds

scholarly journals Electronic Structures and Spectra of Aminoacetophenones and Related Compounds

1978 ◽  
Vol 51 (10) ◽  
pp. 2867-2872 ◽  
Author(s):  
Ryoichi Nakagaki ◽  
Saburo Nagakura ◽  
Takayoshi Kobayasm ◽  
Suehiro Iwata
Keyword(s):  
Electronic Structures ◽  
Related Compounds

Electronic structures of polysilanes and related compounds

1996 ◽  
Vol 78 ◽  
pp. 403-406 ◽  
Author(s):  
K. Seki ◽  
H. Ishii ◽  
A. Yuyama ◽  
M. Watanabe ◽  
K. Fukui ◽  
...  
Keyword(s):  
Electronic Structures ◽  
Related Compounds

Effects of Electronic Structures on the Excited-State Intramolecular Proton Transfer of 1-Hydroxy-2-acetonaphthone and Related Compounds

1998 ◽  
Vol 102 (27) ◽  
pp. 5206-5214 ◽  
Author(s):  
Seiji Tobita ◽  
Masataka Yamamoto ◽  
Noriko Kurahayashi ◽  
Rie Tsukagoshi ◽  
Yosuke Nakamura ◽  
...  
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Electronic Structures ◽  
Intramolecular Proton Transfer ◽  
Related Compounds

An experimental and theoretical approach to the study of the properties of parabanic acid and related compounds: synthesis and crystal structure of diethylimidazolidine-2-selone-4,5-dione

2000 ◽  
Vol 78 (9) ◽  
pp. 1147-1157
Author(s):  
Massimiliano Arca ◽  
Francesco Demartin ◽  
Francesco A Devillanova ◽  
Francesco Isaia ◽  
Francesco Lelj ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Dft Calculations ◽  
Electronic Structures ◽  
Frontier Orbitals ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Related Compounds ◽  
Donor Character ◽  
Ft Raman

The syntheses of the first examples of selenoparabanic acid derivatives (dialkylimidazolidine-2-selone-4,5-dione, 3eR R = Me, Et, Bu) are presented along with the X-ray crystal structure determination of 3eEt. To gain an insight in the properties of parabanic acid derivatives on the basis of their electronic structures, we report the results of comparative hybrid-DFT calculations performed on parabanic, thioparabanic, and selenoparabanic acids (3aH, 3bH, and 3eH) and on their N,N' -dimethyl derivatives (3aMe, 3bMe, and 3eMe). Calculations show that the different nature of the frontier orbitals of 3aR compared to those of 3bR and 3eR, might account for the different reactivities of these compounds. Moreover, the weak donor character of 3bR and 3eR towards molecular di-iodine, estimated by FT-Raman measurements is in agreement with the calculated NBO-charge distribution.Key words: selenation, selenoparabanic derivatives, crystal structure, DFT calculations.

Electronic spectra and electronic structures of [2.2]paracyclophane and related compounds

1973 ◽  
Vol 46 (1) ◽  
pp. 1-15 ◽  
Author(s):  
Suehiro Iwata ◽  
Kiyokazu Fuke ◽  
Michiko Sasaki ◽  
Saburo Nagakura ◽  
Tetsuo Otsubo ◽  
...  
Keyword(s):  
Electronic Spectra ◽  
Electronic Structures ◽  
Related Compounds

Photoelectron Spectra and Electronic Structures of the Radiosensitizer Nimorazole and Related Compounds

2015 ◽  
Vol 119 (39) ◽  
pp. 9986-9995 ◽  
Author(s):  
Linda Feketeová ◽  
Oksana Plekan ◽  
Mayanthi Goonewardane ◽  
Marawan Ahmed ◽  
Abigail L. Albright ◽  
...  
Keyword(s):  
Electronic Structures ◽  
Photoelectron Spectra ◽  
Related Compounds
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