Cu(Proline)2 Complex: A Model of Bio-Copper Structural Ambivalence
Abstract
:1. Introduction
2. Materials and Methods
3. Results and Discussion
3.1. UV-VIS Optical Activity on Structure and Coordination
3.2. IR Diagnostics on Intra- and Inter-Molecular Correlations
3.3. Photo-Dynamic Perspective of Copper Electronics and Coordination
3.4. Structural Flexibility and Implications
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Acknowledgments
Conflicts of Interest
Abbreviations
References
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trans-0 | trans-1b | trans-H | cis-0 | cis-1 | cis-H | |
---|---|---|---|---|---|---|
Cu-O/Å | 1.95 (2.00) | 1.97 (2.08) | 2.02 (2.2) | 1.96 (2.04) | 1.97 (2.02) | 2.00 (2.07) |
Cu-N/Å | 2.03 (2.3) | 2.05 (2.19) | 2.05 (2.15) | 2.1 (2.2) | 2.06 (2.25) | 2.06 (2.21) |
C=O/Å | 1.238 (1.241) | 1.24 (1.25) | 1.25 (1.26) | 1.239 (1.242) | 1.241 (1.243) | 1.25 (1.26) |
NCuO′ | 95° (103°) | 95° (97°) | 95° (96°) | 99° (102°) | 98.9° (100°) | 98° (100°) |
N′CuO′ | 85° (80°) | 85° (81°) | 83° (78°) | 84° (79°) | 84° (81°) | 83.5° (80°) |
NA′CuB′ | 178° (168°) | 174° (162°) | 157° (142°) | 178° (171°) | 175° (179°) | 179° (178°) |
Cu-Ow/Å | 2.44 (2.0) | 2.33 (1.96) | 2.47 (2.02) | 2.56 (2.03) | ||
NCuOw | 97°, 88° (102°, 96°) | 113°, 98° (113°, 106°) | 102°, 91° (104°, 99°) | 103°, 100° (107°, 100°) |
ω01/cm−1 | ω12/cm−1 | Weight | Δ1/cm−1 | T2*/ps | /ps | γ1/ps−1 | γ2/ps−1 |
---|---|---|---|---|---|---|---|
1595.1(0.1) | 1588.5(0.2) | 0.2 | 8.4(0.1) | 0.80(0.02) | 1.57(0.06) | 1(0.01) | 1.3(0.01) |
1604.1(0.1) | 1598.5(0.1) | 0.56 | 8.4(0.1) | 0.96(0.01) | 1.57(0.06) | 0.98(0.01) | 1.3(0.01) |
1620.9(0.1) | 1612.3(0.1) | 0.24 | 8.4(0.1) | 0.96(0.01) | 1.57(0.06) | 1(0.01) | 1.3(0.01) |
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Volkov, V.V.; Chelli, R.; Perry, C.C. Cu(Proline)2 Complex: A Model of Bio-Copper Structural Ambivalence. Molecules 2022, 27, 5846. https://doi.org/10.3390/molecules27185846
Volkov VV, Chelli R, Perry CC. Cu(Proline)2 Complex: A Model of Bio-Copper Structural Ambivalence. Molecules. 2022; 27(18):5846. https://doi.org/10.3390/molecules27185846
Chicago/Turabian StyleVolkov, Victor V., Riccardo Chelli, and Carole C. Perry. 2022. "Cu(Proline)2 Complex: A Model of Bio-Copper Structural Ambivalence" Molecules 27, no. 18: 5846. https://doi.org/10.3390/molecules27185846