Asset Details
- Identifier:
- chem201901200-fig-0004
- Description:
- Overlay plot of the experimentally determined NIR spectra of (a) [1 b]2+ (orange trace) and (b) [1 c]2+ (green trace) with the normalised, line‐broadened (900 cm−1) stick spectra composed from results of TDDFT calculations [lh‐SsirPW92‐D3/def2‐SVP‐COSMO(CH2Cl2)//BLYP35‐D3/def2‐SVP‐COSMO(CH2Cl2)] with three representative minima in each case {[1 b]2+ Ω=50, 69, 132°; [1 c]2+ Ω=4, 78, 158°; black traces}.
- License:
- Rights Managed
- Rights Holder:
- John Wiley & Sons, Inc.
- License Rights Holder:
- © 2019 Wiley‐VCH Verlag GmbH & Co. KGaA, Weinheim
- Asset Type:
- Image
- Asset Subtype:
- Chart/Graph
- Image Orientation:
- Portrait
- Image Dimensions:
- 528 x 1118
- Image File Size:
- 161 KB
- Creator:
- Simon Gückel, Josef B. G. Gluyas, Samantha G. Eaves, Parvin Safari, Dmitry S. Yufit, Alexandre N. Sobolev, Martin Kaupp, Paul J. Low
- Credit:
- Gückel, S., Gluyas, J. B. G., Eaves, S. G., Safari, P., Yufit, D. S., Sobolev, A. N., Kaupp, M., & Low, P. J. (2019). A Spectroscopic and Computationally Minimal Approach to the Analysis of Charge‐Transfer Processes in Conformationally Fluxional Mixed‐Valence and Heterobimetallic Complexes. Chemistry – A European Journal, 25(37), 8837-8853..
- Collection:
- Keywords:
- Restrictions:
- Property Release:
- No
- Model Release:
- No
- Purchasable:
- Yes
- Sensitive Materials:
- No
- Article Authors:
- Simon Gückel, Josef B. G. Gluyas, Samantha G. Eaves, Parvin Safari, Dmitry S. Yufit, Alexandre N. Sobolev, Martin Kaupp, Paul J. Low
- Article Copyright Year:
- 2019
- Publication Title:
- Chemistry – A European Journal
- Publication Volume:
- 25
- Publication Issue:
- 37
- Publication Date:
- 07/02/2019
- DOI:
Click on image to enlarge
