Eliel, E. L. & Wilen, S. H. Stereochemistry of Organic Compounds (John Wiley & Sons, 1994).Frauenfelder, H., Sligar, S. G. & Wolynes, P. G. The energy landscapes and motions of proteins. Science 254, 1598–1603 (1991).ArticleÂ
CASÂ
PubMedÂ
Google ScholarÂ
Robertson, E. G. & Simons, J. P. Getting into shape: conformational and supramolecular landscapes in small biomolecules and their hydrated clusters. Phys. Chem. Chem. Phys. 3, 1–18 (2001).ArticleÂ
CASÂ
Google ScholarÂ
Kim, M. H., Shen, L., Tao, H., Martinez, T. J. & Suits, A. G. Conformationally controlled chemistry: exited-state dynamics dictate ground-state reaction. Science 315, 1561–1565 (2007).ArticleÂ
CASÂ
PubMedÂ
Google ScholarÂ
Champenois, E. G. et al. Conformer-specific photochemistry imaged in real space and time. Science 374, 178–182 (2021).ArticleÂ
CASÂ
PubMedÂ
Google ScholarÂ
Taatjes, C. A. et al. Direct measurements of conformer-dependent reactivity of the Criegee intermediate CH3CHOO. Science 340, 177–180 (2013).ArticleÂ
CASÂ
PubMedÂ
Google ScholarÂ
Lin, H.-Y. et al. Infrared identification of the Criegee intermediates syn- and anti-CH3CHOO, and their distinct conformation-dependent reactivity. Nat. Commun. 6, 7012 (2015).ArticleÂ
CASÂ
PubMedÂ
Google ScholarÂ
Chang, Y.-P. et al. Specific chemical reactivities of spatially separated 3-aminophenol conformers with cold Ca+ ions. Science 342, 98–101 (2013).ArticleÂ
CASÂ
PubMedÂ
Google ScholarÂ
Kilaj, A. et al. Conformer-specific polar cycloaddition of dibromobutadiene with trapped propene ions. Nat. Commun. 12, 6047 (2021).ArticleÂ
CASÂ
PubMedÂ
PubMed CentralÂ
Google ScholarÂ
Ploenes, L., Straňák, P., Gao, H., Küpper, J. & Willitsch, S. A novel crossed-molecular-beam experiment for investigating reactions of state- and conformationally selected strong-field-seeking molecules. Mol. Phys. 119, e1965234 (2021).ArticleÂ
Google ScholarÂ
Siska, P. E. Molecular-beam studies of Penning ionization. Rev. Mod. Phys. 65, 337–412 (1993).ArticleÂ
CASÂ
Google ScholarÂ
Gordon, S. D. S. & Osterwalder, A. The stereodynamics of ion forming reactions. Int. Rev. Phys. Chem. 39, 109–134 (2020).ArticleÂ
CASÂ
Google ScholarÂ
Henson, A. B., Gersten, S., Shagam, Y., Narevicius, J. & Narevicius, E. Observation of quantum effects in sub Kelvin cold reactions. Science 338, 234–238 (2012).ArticleÂ
CASÂ
PubMedÂ
Google ScholarÂ
Margulis, B. et al. Tomography of Feshbach resonance states. Science 380, 77–81 (2023).ArticleÂ
CASÂ
PubMedÂ
Google ScholarÂ
Ohoyama, H. et al. Evidence for steric effect in methyl chloride ionization by metastable argon atoms. Chem. Phys. Lett. 313, 484–490 (1999).ArticleÂ
CASÂ
Google ScholarÂ
Kishimoto, N. & Ohno, K. Observation of anisotropic interactions between metastable atoms and target molecules by two-dimensional collisional ionization electron spectroscopy. Int. Rev. Phys. Chem. 26, 93–138 (2007).ArticleÂ
CASÂ
Google ScholarÂ
Ascenzi, D., Scotoni, M., Tosi, P., Cappelletti, D. & Pirani, F. Stereodynamical effects by anisotropic intermolecular forces. Front. Chem. 7, 390 (2019).ArticleÂ
CASÂ
PubMedÂ
PubMed CentralÂ
Google ScholarÂ
Falcinelli, S., Farrar, J. M., Vecchiocattivi, F. & Pirani, F. Quantum-state controlled reaction channels in chemi-ionization processes: radiative (optical–physical) and exchange (oxidative–chemical) mechanisms. Acc. Chem. Res. 53, 2248–2260 (2020).ArticleÂ
CASÂ
PubMedÂ
PubMed CentralÂ
Google ScholarÂ
Falcinelli, S., Vecchiocattivi, F. & Pirani, F. General treatment for stereo-dynamics of state-to-state chemi-ionization reactions. Commun. Chem. 3, 64 (2020).ArticleÂ
CASÂ
PubMedÂ
PubMed CentralÂ
Google ScholarÂ
Shagam, Y. et al. Molecular hydrogen interacts more strongly when rotationally excited at low temperatures leading to faster reactions. Nat. Chem. 7, 921–926 (2015).ArticleÂ
CASÂ
PubMedÂ
Google ScholarÂ
Klein, A. et al. Directly probing anisotropy in atom–molecule collisions through quantum scattering resonances. Nat. Phys. 13, 35–38 (2017).ArticleÂ
CASÂ
Google ScholarÂ
Gordon, S. D. S. et al. Quantum-state-controlled channel branching in cold Ne (3P2)+ Ar chemi-ionization. Nat. Chem. 10, 1190–1195 (2018).ArticleÂ
CASÂ
PubMedÂ
Google ScholarÂ
Zou, J., Gordon, S. D. & Osterwalder, A. Sub-kelvin stereodynamics of the Ne (3P2)+ N2 reaction. Phys. Rev. Lett. 123, 133401 (2019).ArticleÂ
CASÂ
PubMedÂ
Google ScholarÂ
Chang, Y.-P., Horke, D. A., Trippel, S. & Küpper, J. Spatially-controlled complex molecules and their applications. Int. Rev. Phys. Chem. 34, 557–590 (2015).ArticleÂ
CASÂ
Google ScholarÂ
Kilaj, A. et al. Observation of different reactivities of para- and ortho-water towards trapped diazenylium ions. Nat. Commun. 9, 2096 (2018).ArticleÂ
PubMedÂ
PubMed CentralÂ
Google ScholarÂ
Kilaj, A. et al. Quantum-chemistry-aided identification, synthesis and experimental validation of model systems for conformationally controlled reaction studies: separation of the conformers of 2, 3-dibromobuta-1, 3-diene in the gas phase. Phys. Chem. Chem. Phys. 22, 13431–13439 (2020).ArticleÂ
CASÂ
PubMedÂ
Google ScholarÂ
You, H. S. et al. Spatial isolation of conformational isomers of hydroquinone and its water cluster using the Stark deflector. J. Phys. Chem. A 122, 1194–1199 (2018).ArticleÂ
CASÂ
PubMedÂ
Google ScholarÂ
Akopyan, M., Kleimenov, V. & Feofilov, A. Stepwise ionization of hydroquinone vapor by monochromatic radiation. High Energy Chem. 34, 107–111 (2000).ArticleÂ
CASÂ
Google ScholarÂ
Hassan, I., Pavlov, J., Errabelli, R. & Attygalle, A. B. Oxidative ionization under certain negative-ion mass spectrometric conditions. J. Am. Soc. Mass Spectrom. 28, 270–277 (2016).ArticleÂ
PubMedÂ
Google ScholarÂ
Holstein, W. L., Hammer, M. R., Metha, G. F. & Buntine, M. A. Time-of-flight mass spectrometric detection of mono-and di-substituted benzenes at parts per million concentrations by way of liquid microjet injection and laser ionisation. Int. J. Mass Spectrom. 207, 1–12 (2001).ArticleÂ
CASÂ
Google ScholarÂ
Ivanov, M. V. & Babikov, D. Mixed quantum-classical theory for the collisional energy transfer and the rovibrational energy flow: application to ozone stabilization. J. Chem. Phys. 134, 144107 (2011).ArticleÂ
PubMedÂ
Google ScholarÂ
Li, A. et al. Communication: the origin of rotational enhancement effect for the reaction of H2O+ + H2 (D2). J. Chem. Phys. 140, 011102 (2014).ArticleÂ
PubMedÂ
Google ScholarÂ
Cernuto, A., Tosi, P., Martini, L. M., Pirani, F. & Ascenzi, D. Experimental investigation of the reaction of helium ions with dimethyl ether: stereodynamics of the dissociative charge exchange process. Phys. Chem. Chem. Phys. 19, 19554–19565 (2017).ArticleÂ
CASÂ
PubMedÂ
Google ScholarÂ
Cernuto, A., Pirani, F., Martini, L. M., Tosi, P. & Ascenzi, D. The selective role of long-range forces in the stereodynamics of ion–molecule reactions: the He+ + methyl formate case from guided-ion-beam experiments. Chem. Phys. Chem. 19, 51–59 (2018).ArticleÂ
CASÂ
PubMedÂ
Google ScholarÂ
Filsinger, F. et al. Pure samples of individual conformers. Angew. Chem. Int. Ed. 48, 6900–6902 (2009).ArticleÂ
CASÂ
Google ScholarÂ
Holmegaard, L. et al. Laser-induced alignment and orientation of quantum-state-selected large molecules. Phys. Rev. Lett. 102, 023001 (2009).ArticleÂ
PubMedÂ
Google ScholarÂ
Caminati, W., Melandri, S. & Favero, L. B. Microwave spectroscopy of hydroquinone: The rotational spectrum of the cis conformer. J. Chem. Phys. 100, 8569–8572 (1994).ArticleÂ
CASÂ
Google ScholarÂ
Straňák, P. et al. Development and characterization of high-repetition-rate sources for supersonic beams of fluorine radicals. Rev. Sci. Instrum. 92, 103203 (2021).ArticleÂ
PubMedÂ
Google ScholarÂ
Yanai, T., Tew, D. P. & Handy, N. C. A new hybrid exchange–correlation functional using the Coulomb-attenuating method (cam-b3lyp). Chem. Phys. Lett. 393, 51–57 (2004).ArticleÂ
CASÂ
Google ScholarÂ
Frisch, M. J. et al. Gaussian 16 Revision C.01 (Gaussian, 2016).Weigend, F. & Ahlrichs, R. Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: design and assessment of accuracy. Phys. Chem. Chem. Phys. 7, 3297–3305 (2005).ArticleÂ
CASÂ
PubMedÂ
Google ScholarÂ
Dunning, T. H. Jr Gaussian basis sets for use in correlated molecular calculations. i. The atoms boron through neon and hydrogen. J. Chem. Phys. 90, 1007–1023 (1989).ArticleÂ
CASÂ
Google ScholarÂ
Kendall, R. A., Dunning, T. H. & Harrison, R. J. Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions. J. Chem. Phys. 96, 6796–6806 (1992).ArticleÂ
CASÂ
Google ScholarÂ
Brunetti, B. G., Candori, P., Falcinelli, S., Pirani, F. & Vecchiocattivi, F. The stereodynamics of the Penning ionization of water by metastable neon atoms. J. Chem. Phys. 139, 164305 (2013).ArticleÂ
PubMedÂ
Google ScholarÂ
Ploenes, L. et al. Supporting data for ‘Collisional alignment and molecular rotation control the chemi-ionization of individual conformers of hydroquinone with metastable neon’. Zenodo https://doi.org/10.5281/zenodo.11260792 (2024).