Chemical Conversion of Hardly Ionizable Rhenium Aryl Chlorocomplexes with p-Substituted Anilines
Abstract
:1. Introduction
2. Results and Discussion
2.1. Chemistry
2.2. Molecular Modeling
2.3. High-Resolution Mass Spectrometry Characterization
2.4. Reaction Time-Course
2.5. Collision Induced Dissociation (CID)
3. Materials and Methods
3.1. Materials and Reagents
3.2. Instrumentation and Software
3.3. DFT Calculation
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
Sample Availability
Abbreviations
References
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Entry | X | Complex | Formula |
---|---|---|---|
1 | Cl | [ReVII(O)(Cat)2PClA]− a | C18H12ClNO5Re |
2 | Br | [ReVII(O)(Cat)2PBrA]− a | C18H12BrNO5Re |
3 | H | [ReVII(O)(Cat)2An]− a | C18H13NO5Re |
4 | CH3 | [ReVII(O)(Cat)2PT]− a | C19H15NO5Re |
5 | C(CH3)2 | [ReVII(O)(Cat)2PIPA]− a | C21H19NO5Re |
Entry | Molecular Formula | Theoretical m/z | Measured m/z | Error (mDa) | Error (ppm) | (1-SI) 100 (%) |
---|---|---|---|---|---|---|
[Re(O)(Cat)2PClA]− | C18H12ClNO5Re | 543.9958 | 543.9969 | −1.1 | −2.0 | 98.6 |
[Re(O)(Cat)2PBrA]− | C18H12BrNO5Re | 587.9445 | 587.9440 | 0.4 | 0.8 | 94.2 |
[Re(O)(Cat)2An]− | C18H13NO5Re | 510.0357 | 510.0360 | −0.3 | −0.6 | 98.1 |
[Re(O)(Cat)2PT]− | C19H15NO5Re | 524.0514 | 524.0507 | 0.7 | 1.2 | 89.2 |
[Re(O)(Cat)2PIPA]− | C21H19NO5Re | 552.0827 | 552.0828 | −0.2 | −0.3 | 98.1 |
Nom. m/z | Ion Formula | Theoretical m/z | Measured m/z | Error (mDa) | Error (ppm) | Rel. Abundance (%) |
---|---|---|---|---|---|---|
588 | C18H12BrNO5Re− | 587.9462 | 587.9459 | 0.5 | 0.3 | 0.3 |
480 | C12H8BrNO3Re− | 479.9233 | 479.9271 | −7.9 | −3.8 | −3.8 |
404 | C6H4BrNO3Re− | 403.892 | 403.8931 | −2.8 | −1.1 | −1.1 |
327 | C6H4O4Re− | 326.9673 | 326.9681 | −2.5 | −0.8 | −0.8 |
251 | ReO4− | 250.936 | 250.9354 | 2.3 | 0.6 | 0.6 |
235 | ReO3− | 234.9411 | 234.9383 | 11.7 | 2.8 | 2.8 |
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Štícha, M.; Jelínek, I.; Vlk, M. Chemical Conversion of Hardly Ionizable Rhenium Aryl Chlorocomplexes with p-Substituted Anilines. Molecules 2021, 26, 3427. https://doi.org/10.3390/molecules26113427
Štícha M, Jelínek I, Vlk M. Chemical Conversion of Hardly Ionizable Rhenium Aryl Chlorocomplexes with p-Substituted Anilines. Molecules. 2021; 26(11):3427. https://doi.org/10.3390/molecules26113427
Chicago/Turabian StyleŠtícha, Martin, Ivan Jelínek, and Mikuláš Vlk. 2021. "Chemical Conversion of Hardly Ionizable Rhenium Aryl Chlorocomplexes with p-Substituted Anilines" Molecules 26, no. 11: 3427. https://doi.org/10.3390/molecules26113427