Solvent Effects in the Ultraviolet and X-ray Absorption Spectra of Pyridazine in Aqueous Solution

2021 ◽  
Author(s):  
Shota Tsuru ◽  
Bikramjit Sharma ◽  
Masanari Nagasaka ◽  
Christof Hättig
Keyword(s):  
Aqueous Solution ◽  
Absorption Spectra ◽  
Solvent Effects ◽  
X Ray ◽  
X Ray Absorption

On the origin of dips in total fluorescence yield X-ray absorption spectra: Partial and inverse partial fluorescence yield at the L-edge of cobalt aqueous solution

2012 ◽  
Vol 546 ◽  
pp. 164-167 ◽  
Author(s):  
Mikhail A. Soldatov ◽  
Kathrin M. Lange ◽  
Malte D. Gotz ◽  
Nicholas Engel ◽  
Ronny Golnak ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Absorption Spectra ◽  
Fluorescence Yield ◽  
X Ray ◽  
Total Fluorescence ◽  
X Ray Absorption

A spectroscopic study of solvent effects on the formation of Cu(II)-chloride complexes in aqueous solution

2021 ◽  
Author(s):  
ning zhang ◽  
Jianfeng Tang ◽  
Yuntian Ma ◽  
Minghui Liang ◽  
Dewen Zeng ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Aqueous Solutions ◽  
Spectroscopic Study ◽  
Solvent Effects ◽  
Chloride Complexes ◽  
Concentrated Aqueous Solutions ◽  
X Ray ◽  
X Ray Absorption

A combination of electronic (UV-Vis) and X-ray absorption (EXAFS, XANES) spectroscopies has been used to investigate the formation of copper(II)/chloride complexes in concentrated aqueous solutions. It is established that lowering...

scholarly journals Solvation and Speciation of Cobalt(II). A Theoretical X-Ray Absorption and RIXS Study

2019 ◽  
Author(s):  
Basmah H. Allehyani ◽  
Walid I. Hassan ◽  
Saadullah Aziz ◽  
Rifaat H. Hilal ◽  
Oliver Kühn ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Absorption Spectra ◽  
Aqua Complex ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Dynamical Correlation ◽  
X Ray ◽  
Spectral Signatures ◽  
Spectroscopic Signatures ◽  
X Ray Absorption

<p>The X-ray spectroscopic signatures of solvated Co<sup>2+</sup> ions mimicking the aqueous solution of CoCl<sub>2</sub> are investigated accounting for multiconfigurational as well as spin-orbit coupling effects. To this end the RASSCF/RASSI methodology with second order corrections due to dynamical correlation (RASPT2) is employed. Emphasis is put on the identification of spectral signatures of different species in octahedral, [Co(H<sub>2</sub>O)<sub>6</sub><sub>-</sub><sub>x</sub>Cl<sub>x</sub>]<sup>(2</sup><sup>-</sup><sup>x)+</sup>, and tetrahedral, [Co(H<sub>2</sub>O)<sub>4</sub><sub>-</sub><sub>x</sub>Cl<sub>x</sub>]<sup>(2</sup><sup>-</sup><sup>x)+</sup>,coordination. X-ray absorption spectra show distinct differences in the L<sub>3</sub> band only. Here, the best agreement is obtained for the hexa-aqua complex [Co(H<sub>2</sub>O)<sub>6</sub>]<sup>2+</sup>. For better identification it is proposed to use RIXS spectroscopy, which shows pronounced species-dependent inelastic features.</p><p><br></p>

scholarly journals Solvation and Speciation of Cobalt(II). A Theoretical X-Ray Absorption and RIXS Study

2020 ◽  
Author(s):  
Basmah H. Allehyani ◽  
Walid I. Hassan ◽  
Saadullah Aziz ◽  
Rifaat H. Hilal ◽  
Oliver Kühn ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Absorption Spectra ◽  
Aqua Complex ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Dynamical Correlation ◽  
X Ray ◽  
Spectral Signatures ◽  
Spectroscopic Signatures ◽  
X Ray Absorption

<p>The X-ray spectroscopic signatures of solvated Co<sup>2+</sup> ions mimicking the aqueous solution of CoCl<sub>2</sub> are investigated accounting for multiconfigurational as well as spin-orbit coupling effects. To this end the RASSCF/RASSI methodology with second order corrections due to dynamical correlation (RASPT2) is employed. Emphasis is put on the identification of spectral signatures of different species in octahedral, [Co(H<sub>2</sub>O)<sub>6</sub><sub>-</sub><sub>x</sub>Cl<sub>x</sub>]<sup>(2</sup><sup>-</sup><sup>x)+</sup>, and tetrahedral, [Co(H<sub>2</sub>O)<sub>4</sub><sub>-</sub><sub>x</sub>Cl<sub>x</sub>]<sup>(2</sup><sup>-</sup><sup>x)+</sup>,coordination. X-ray absorption spectra show distinct differences in the L<sub>3</sub> band only. Here, the best agreement is obtained for the hexa-aqua complex [Co(H<sub>2</sub>O)<sub>6</sub>]<sup>2+</sup>. For better identification it is proposed to use RIXS spectroscopy, which shows pronounced species-dependent inelastic features.</p><p><br></p>

scholarly journals In situ Measurements of X-ray Absorption Spectra during Transformation of Green Rust to Ferric Oxyhydroxide Via Aqueous Solution

2014 ◽  
Vol 54 (1) ◽  
pp. 125-130 ◽  
Author(s):  
Shun Fujieda ◽  
Aya Yoshino ◽  
Kozo Shinoda ◽  
Yohei Takahashi ◽  
Shigeru Suzuki
Keyword(s):  
Aqueous Solution ◽  
Absorption Spectra ◽  
In Situ Measurements ◽  
Green Rust ◽  
X Ray ◽  
Ferric Oxyhydroxide ◽  
X Ray Absorption

scholarly journals Solvation and Speciation of Cobalt(II). A Theoretical X-Ray Absorption and RIXS Study

2020 ◽  
Author(s):  
Basmah H. Allehyani ◽  
Walid I. Hassan ◽  
Saadullah Aziz ◽  
Rifaat H. Hilal ◽  
Oliver Kühn ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Absorption Spectra ◽  
Aqua Complex ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Dynamical Correlation ◽  
X Ray ◽  
Spectral Signatures ◽  
Spectroscopic Signatures ◽  
X Ray Absorption

<p>The X-ray spectroscopic signatures of solvated Co<sup>2+</sup> ions mimicking the aqueous solution of CoCl<sub>2</sub> are investigated accounting for multiconfigurational as well as spin-orbit coupling effects. To this end the RASSCF/RASSI methodology with second order corrections due to dynamical correlation (RASPT2) is employed. Emphasis is put on the identification of spectral signatures of different species in octahedral, [Co(H<sub>2</sub>O)<sub>6</sub><sub>-</sub><sub>x</sub>Cl<sub>x</sub>]<sup>(2</sup><sup>-</sup><sup>x)+</sup>, and tetrahedral, [Co(H<sub>2</sub>O)<sub>4</sub><sub>-</sub><sub>x</sub>Cl<sub>x</sub>]<sup>(2</sup><sup>-</sup><sup>x)+</sup>,coordination. X-ray absorption spectra show distinct differences in the L<sub>3</sub> band only. Here, the best agreement is obtained for the hexa-aqua complex [Co(H<sub>2</sub>O)<sub>6</sub>]<sup>2+</sup>. For better identification it is proposed to use RIXS spectroscopy, which shows pronounced species-dependent inelastic features.</p><p><br></p>

Electronic Structure and X-ray Absorption Spectra of Rutile TiO2 Using First-Principles Calculations

2014 ◽  
Vol 52 (12) ◽  
pp. 1025-1029
Author(s):  
Min-Wook Oh ◽  
Tae-Gu Kang ◽  
Byungki Ryu ◽  
Ji Eun Lee ◽  
Sung-Jae Joo ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Absorption Spectra ◽  
First Principles ◽  
First Principles Calculations ◽  
Rutile Tio2 ◽  
X Ray ◽  
X Ray Absorption

scholarly journals Theoretical description of optical and x-ray absorption spectra of MgO including many-body effects

2021 ◽  
Vol 103 (19) ◽  
Author(s):  
Vijaya Begum ◽  
Markus E. Gruner ◽  
Christian Vorwerk ◽  
Claudia Draxl ◽  
Rossitza Pentcheva
Keyword(s):  
Absorption Spectra ◽  
Theoretical Description ◽  
Many Body ◽  
X Ray ◽  
Many Body Effects ◽  
X Ray Absorption

scholarly journals Soft X-ray absorption spectra in the CK region of carbon black and spectral analysis using the discrete variational Xα method

TANSO ◽  
2009 ◽  
Vol 2009 (236) ◽  
pp. 2-8 ◽  
Author(s):  
Yasuji Muramatsu ◽  
Ryusuke Harada ◽  
Muneyuki Motoyama ◽  
Eric M. Gullikson
Keyword(s):  
Spectral Analysis ◽  
Carbon Black ◽  
Absorption Spectra ◽  
X Ray ◽  
X Ray Absorption
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