A highly enantioselective intramolecular 1, 3-dipolar cycloaddition yields novel pseudo-natural product inhibitors of the Hedgehog signalling pathwayElectronic supplementary information (ESI) available. See DOI: https://doi.org/10.1039/d3sc01240a

Authors: Liu, Jie, Zhang, Ruirui, Mallick, Shubhadip, Patil, Sohan, Wientjens, Chantal, Flegel, Jana, Krupp, Anna, Strohmann, Carsten, Grassin, Corentin, Merten, Christian, Pahl, Axel, Grigalunas, Michael, Waldmann, Herbert

Source: Chemical science. 14(29):7936-7943

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Solvation of serine-based model peptides and the role of the intramolecular OH·O hydrogen bond in interpreting VCD spectraElectronic supplementary information (ESI) available: Conformational analyses including relative energies and geometries of the monomeric and solvated forms of the investigated molecules. See DOI: https://doi.org/10.1039/d3cp02426a

Authors: Müller, Clemens, Merten, Christian

Source: Physical chemistry chemical physics. 25(29):19462-19469

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Matrix-isolation vibrational circular dichroism (VCD) spectroscopy of chiral 1-phenyl-1-propanolElectronic supplementary information (ESI) available: Relative energies of optimized monomer, dimer and trimer geometries; additional spectra plots. See DOI: https://doi.org/10.1039/d3cp02238b

Authors: Grassin, Corentin, Merten, Christian

Source: Physical chemistry chemical physics. 25(26):17107-17111

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Simultaneous observation of halogen–lone pair and halogen–π interactions of ferrocene derivatives under cryogenic conditionsElectronic supplementary information (ESI) available: Experimental and computational details, additional figures with spectra and structures, and computed conformer energies. CCDC 2252978. For ESI and crystallographic data in CIF or other electronic format see DOI: https://doi.org/10.1039/d3cp01661g

Authors: Kreienborg, Nora M., Otte, Felix, Strohmann, Carsten, Merten, Christian

Source: Physical chemistry chemical physics. 25(22):15110-15114

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Diastereoselective, Lewis acid-mediated Diels–Alder reactions of allenoic acid derivatives and 1, 3-cyclopentadienesElectronic supplementary information (ESI) available: Synthetic procedures and full characterization for all starting materials and products, spectroscopic data, mechanistic studies, crystallographic data. CCDC 2247008. For ESI and crystallographic data in CIF or other electronic format see DOI: https://doi.org/10.1039/d3ob00598d

Authors: Harvey, Freya M., Heidecker, Alexandra H., Merten, Christian, Bach, Thorsten

Source: Organic & biomolecular chemistry. 21(21):4422-4428

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Matrix-isolation and cryosolution-VCD spectra of α-pinene as benchmark for anharmonic vibrational spectra calculationsElectronic supplementary information (ESI) available: Additional spectra plots for α- and β-pinene. See DOI: https://doi.org/10.1039/d2cp04782a

Authors: Kreienborg, Nora M., Yang, Qin, Pollok, Corina H., Bloino, Julien, Merten, Christian

Source: Physical chemistry chemical physics. 25(4):3343-3353

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Asymmetric Counteranion-Directed Halogen Bonding Catalysis.

Authors: Reinhard, Dominik L., Iniutina, Anna, Reese, Sven, Shaw, Tushar, Merten, Christian, List, Benjamin, Huber, Stefan M.

Source: Journal of the American Chemical Society; 3/12/2025, Vol. 147 Issue 10, p8107-8112, 6p

Anion-binding of a chiral tris(2-aminoethyl)amine-based tripodal thiourea: a spectroscopic and computational studyElectronic supplementary information (ESI) available: Details on the conformational analysis incl. key geometric parameters and relative energies, Cartesian coordinates of selected conformers, NMR data and additional spectra plots. See DOI: 10.1039/d1cp05688c

Authors: Scholten, Kevin, Merten, Christian

Source: Physical chemistry chemical physics. 24(6):4042-4050

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Solvation of the Boc–Val–Phe–nPr peptide characterized by VCD spectroscopy and DFT calculationsElectronic supplementary information (ESI) available: Details on the conformational analysis incl. key geometric parameters and relative energies, Cartesian coordinates of selected conformers, additional spectra plots. See DOI: 10.1039/d1cp05457k

Authors: Scholten, Kevin, Merten, Christian

Source: Physical chemistry chemical physics. 24(6):3611-3617

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Wavelength-dependent photochemistry of a salicylimine derivative studied with cryogenic and ultrafast spectroscopy approachesElectronic supplementary information (ESI) available. See DOI: https://doi.org/10.1039/d2cp04488a

Authors: Artmann, Kevin, Pollok, Corina H., Merten, Christian, Nuernberger, Patrick

Source: Physical chemistry chemical physics. 24(48):30017-30026

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7-Azaindole breaks carboxylic acid dimers and simplifies VCD spectra analyses of natural productsElectronic supplementary information (ESI) available. See DOI: https://doi.org/10.1039/d2cc04433a

Authors: Grassin, Corentin, Santoro, Ernesto, Merten, Christian

Source: Chemical communications. 58(82):11527-11530

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VCD spectroscopy reveals conformational changes of chiral crown ethers upon complexation of potassium and ammonium cationsElectronic supplementary information (ESI) available: Details on the conformational analysis incl. key geometric parameters and relative energies, Cartesian coordinates of selected conformers, additional spectra plots. CCDC 2157857 and 2157856. For ESI and crystallographic data in CIF or other electronic format see DOI: https://doi.org/10.1039/d2cp01309f

Authors: Weirich, Luisa, Tusha, Gers, Engelage, Elric, Schäfer, Lars V., Merten, Christian

Source: Physical chemistry chemical physics. 24(19):11721-11728

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VCD spectroscopy distinguishes the enamine and iminium ion of a 1, 1′-binaphthyl azepineElectronic supplementary information (ESI) available: Cartesian coordinates of the computed structures, additional spectra. See DOI: https://doi.org/10.1039/d2cc02863h

Authors: Golub, Tino P., Kano, Taichi, Maruoka, Keiji, Merten, Christian

Source: Chemical communications. 58(60):8412-8415

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Vibrational CD study on the solution phase structures of the MacMillan catalyst and its corresponding iminium ionElectronic supplementary information (ESI) available. See DOI: 10.1039/d1cp04497d

Authors: Golub, Tino P., Merten, Christian

Source: Physical chemistry chemical physics. 23(44):25162-25169

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Induced VCD and conformational chirality in host–guest complexes of a chiral ammonium salt with crown ethersElectronic supplementary information (ESI) available: Cartesian coordinates, energies, additional figures of conformers and spectra. See DOI: 10.1039/d1cp01846a

Authors: Weirich, Luisa, Merten, Christian

Source: Physical chemistry chemical physics. 23(34):18300-18307

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Silver‐Catalyzed Enantioselective Sulfimidation Mediated by Hydrogen Bonding Interactions

Authors: Annapureddy, Rajasekar Reddy, Burg, Finn, Gramüller, Johannes, Golub, Tino P., Merten, Christian, Huber, Stefan M., Bach, Thorsten

Source: Angewandte Chemie international edition. 60(14):7920-7926

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VCD spectroscopy reveals that a water molecule determines the conformation of azithromycin in solutionElectronic supplementary information (ESI) available: Cartesian coordinates, conformer energies, additional IR and VCD spectra plots. See DOI: 10.1039/d1cc00932j

Authors: Demarque, Daniel P., Kemper, Michael, Merten, Christian

Source: Chemical communications. 57(33):4031-4034

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Treating anisotropic artefacts in circular dichroism spectroscopy enables investigation of lyotropic liquid crystalline polyaspartate solutionsElectronic supplementary information (ESI) available: CD, LD and abs spectra, discussion about DSCG. See DOI: 10.1039/d0sm02102d

Authors: Hirschmann, Max, Merten, Christian, Thiele, Christina M.

Source: Soft matter. 17(10):2849-2856

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Chirale molekulare Propeller basierend auf Triarylboran‐Ammoniak‐Addukten

Authors: Kemper, Michael, Engelage, Elric, Merten, Christian

Source: Angewandte Chemie. 133(6):2994-2999

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Chiral Molecular Propellers of Triarylborane Ammonia Adducts

Authors: Kemper, Michael, Engelage, Elric, Merten, Christian

Source: Angewandte Chemie international edition. 60(6):2958-2962

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100115833486.0x000001&indx=1&recIds=ETOCvdc_100115833486.0x000001