JAEA
  • help
  • PC | SP
  • JP | EN
          
Refine your search：     
Report No.
 - 
Clear All
Search Results: Records 1-9 displayed on this page of 9
  • 1

Presentation/Publication Type

Initialising ...

Refine

Journal/Book Title

Initialising ...

Meeting title

Initialising ...

First Author

Initialising ...

Keyword

Initialising ...

Language

Initialising ...

Publication Year

Initialising ...

Held year of conference

Initialising ...

Save select records

Journal Articles

Temperature dependent absorption spectra of Br$$^{-}$$, Br$$_{2}$$$$^{.-}$$, and Br$$_{3}$$$$^{-}$$ in aqueous solutions

Lin, M.; Archirel, P.*; Van-Oanh, N. T.*; Muroya, Yusa*; Fu, H.*; Yan, Y.*; Nagaishi, Ryuji; Kumagai, Yuta; Katsumura, Yosuke*; Mostafavi, M.*

Journal of Physical Chemistry A, 115(17), p.4241 - 4247, 2011/04

https://doi.org/10.1021/jp1123103
 Times Cited Count：17 Percentile：48.61(Chemistry, Physical)

The absorption spectra of Br$$_{2}$$$$^{.-}$$ and Br$$_{3}$$$$^{-}$$ in aqueous solutions are investigated by pulse radiolysis techniques from room temperature to 380 and 350$$^{circ}$$C, respectively. The weak temperature effect on the absorption spectra of Br$$_{2}$$$$^{.-}$$ and Br$$_{3}$$$$^{-}$$ is because in these two systems, the transition occurs between two valence states. We performed classical dynamics of hydrated Br$$^{-}$$ system at 20 and 300$$^{circ}$$C under pressure of 25 MPa. This shows that the first water shell is strongly bound to the anion whatever the temperature. The first two water shells form a cavity of a roughly spherical shape around the anion. By TDDFT method, we calculated the absorption spectra of hydrated Br$$^{-}$$ at two temperatures and we compared the results with the experimental data.

JAEA Reports

None

Moro, Yoshiji*; Oanh, T.*; Amemiya, Kiyoshi*

PNC TJ1412 96-002, 237 Pages, 1996/03

PNC-TJ1412-96-002.pdf:6.96MB

None

JAEA Reports

None

Moro, Yoshiji*; Oanh, T.*; Amemiya, Kiyoshi*

PNC TJ1412 96-001, 481 Pages, 1996/03

PNC-TJ1412-96-001.pdf:16.26MB

None

JAEA Reports

None

Moro, Yoshiji*; Oanh, T.*; Amemiya, Kiyoshi*

PNC TJ1412 96-004, 122 Pages, 1996/02

PNC-TJ1412-96-004.pdf:3.93MB

None

JAEA Reports

None

Moro, Yoshiji*; Oanh, T.*; Amemiya, Kiyoshi*

PNC TJ1412 96-003, 260 Pages, 1996/02

PNC-TJ1412-96-003.pdf:7.56MB

None

JAEA Reports

None

Chijimatsu, Masakazu*; Oanh, T.*; Amemiya, Kiyoshi*

PNC TJ1412 95-002, 186 Pages, 1995/03

PNC-TJ1412-95-002.pdf:9.67MB

None

JAEA Reports

None

Chijimatsu, Masakazu*; Oanh, T.*; Amemiya, Kiyoshi*

PNC TJ1412 95-001, 107 Pages, 1995/02

PNC-TJ1412-95-001.pdf:5.8MB

None

Oral presentation

A Study on the absorption spectra of Br$$^{-}$$, Br$$_{2}$$$$^{-.}$$, Br$$_{3}$$$$^{-}$$ in aqueous solutions at elevated temperatures

Lin, M.; Muroya, Yusa*; Katsumura, Yosuke*; Archirel, P.*; Van-Oanh, N. T.*; Nagaishi, Ryuji; Kumagai, Yuta; Mostafavi, M.*

no journal, , 

The temperature dependent absorption spectra of Br$$^{-}$$, Br$$_{2}$$$$^{-.}$$ and Br$$_{3}$$$$^{-}$$ have been investigated by pulse radiolysis or steady-state irradiation. The spectra of Br$$_{2}$$$$^{-.}$$ and Br$$_{3}$$$$^{-}$$ exhibit almost no shift at the absorption maximum, while that of Br$$^{-}$$ shows a red-shift with increasing temperature. Quantum chemical calculations have been also performed to unveil the nature of the spectral shift of Br$$^{-}$$.

Oral presentation

Temperature dependent absorption spectra of Br$$^{-}$$, Br$$_{2}$$$$^{-.}$$ and Br$$_{3}$$$$^{-}$$ in aqueous solutions

Lin, M.; Muroya, Yusa*; Katsumura, Yosuke*; Archirel, P.*; Van-Oanh, N. T.*; Fu, H.*; Yan, Y.*; Nagaishi, Ryuji; Kumagai, Yuta; Mostafavi, M.*

no journal, , 

The absorption spectra of Br$$_{2}$$$$^{-.}$$ and Br$$_{3}$$$$^{-}$$ in aqueous solutions are investigated by pulse radiolysis techniques from room temperature to 380 and 350$$^{circ}$$C, respectively. The weak temperature effect on the absorption spectra of Br$$_{2}$$$$^{-.}$$ and Br$$_{3}$$$$^{-}$$ is because in these two systems, the transition occurs between two valence states. We performed classical dynamics of hydrated Br$$^{-}$$ system at 20 and 300$$^{circ}$$C under pressure of 25 MPa. This shows that the first water shell is strongly bound to the anion whatever the temperature. The first two water shells form a cavity of a roughly spherical shape around the anion. By TDDFT method, we calculated the absorption spectra of hydrated Br$$^{-}$$ at two temperatures and we compared the results with the experimental data.

9 (Records 1-9 displayed on this page)
  • 1