Single solvent molecules can affect the dynamics of substitution reactions

Harich, S. A. et al. Forward scattering due to slow-down of the intermediate in the H + HD → D + H2 reaction. Nature 419, 281–284 (2002).

Qiu, M. et al. Observation of Feshbach resonances in the F + H2→HF + H reaction. Science 311, 1440–1443 (2006).

Greaves, S. J. et al. Vibrational excitation through tug-of-war inelastic collisions. Nature 454, 88–91 (2010).

Skouteris, D. et al. Van der Waals interactions in the Cl + HD reaction. Science 286, 171–174 (1999).

Greaves, S. J. et al. Vibrationally quantum-state-specific reaction dynamics of H atom abstraction by CN radical in solution. Science 331, 1423–1426 (2011).

Bohme, D. K. & Mackay, G. I. Bridging the gap between the gas-phase and solution—transition in the kinetics of nucleophilic displacement-reactions. J. Am. Chem. Soc. 103, 978–979 (1981).

Vöhringer-Martinez, E. et al. Water catalysis of a radical-molecule gas-phase reaction. Science 315, 497–501 (2007).

Regan, C. K., Craig, S. L. & Brauman, J. I. Steric effects and solvent effects in ionic reactions. Science 295, 2245–2247 (2002).

Hierl, P. M., Paulson, J. F. & Henchman, M. J. Translational energy-dependence of crosssections for reactions of OH−(H2O)n with CH3Cl and CH3Br. J. Phys. Chem. 99, 15655–15661 (1995).

Seeley, J. V., Morris, R. A. & Viggiano, A. A. Temperature dependences of the rate constants and branching ratios for the reactions of F−(H2O)0–5 with CH3Br. J. Phys. Chem. A 101, 4598–4601 (1997).

Seeley, J. V., Morris, R. A., Viggiano, A. A., Wang, H. B. & Hase, W. L. Temperature dependence of the rate constants and branching ratios for the reactions of Cl−(D2O)1–3 with CH3Br and thermal dissociation rates for Cl−(CH3Br). J. Am. Chem. Soc. 119, 577–584 (1997).

Viggiano, A. A., Arnold, S. T., Morris, R. A., Ahrens, A. F. & Hierl, P. M. Temperature dependences of the rate constants and branching ratios for the reactions of OH−(H2O)0–4 + CH3Br. J. Phys. Chem. 100, 14397–14402 (1996).

Viggiano, A. A., Arnold, S. T. & Morris, R. A. Reactions of mass-selected cluster ions in a thermal bath gas. Int. Rev. Phys. Chem. 17, 147–184 (1998).

Chabinyc, M. L., Craig, S. L., Regan, C. K. & Brauman, J. I. Gas-phase ionic reactions: dynamics and mechanism of nucleophilic displacements. Science 279, 1882–1886 (1998).

Bergsma, J. P., Gertner, B. J., Wilson, K. R. & Hynes, J. T. Molecular dynamics of a model SN2 reaction in water. J. Chem. Phys. 86, 1356–1376 (1987).

Mikosch, J. et al. Velocity map imaging of ion-molecule reactive scattering: The Ar++ N2 charge transfer reaction. Phys. Chem. Chem. Phys. 8, 2990–2999 (2006).

Mikosch, J. et al. Imaging nucleophilic substitution dynamics. Science 319, 183–186 (2008).

Zhang, J. X. et al. F− + CH3I → FCH3 + I− reaction dynamics. Nontraditional atomistic mechanisms and formation of a hydrogen-bonded complex. J. Phys. Chem. Lett. 1, 2747–2752 (2010).

Wester, R. Radiofrequency multipole traps: tools for spectroscopy and dynamics of cold molecular ions. J. Phys. B 42, 154001 (2009).

Trippel, S. et al. Kinematically complete chemical reaction dynamics. J. Phys. Conf. Series 194, 012046 (2009).

Meot-Ner, M. & Sieck, L. W. Relative acidities of water and methanol and the stabilities of the dimer anions. J. Phys. Chem. 90, 6687–6690 (1986).

Paul, G. J. C. & Kebarle, P. Thermodynamics of the association reactions OH− + H2O = HOHOH− and CH3O− + CH3OH = CH3OHOCH3− in the gas phase. J. Phys. Chem. 94, 5184–5189 (1990).

Gao, J., Garner, D. & Jorgensen, W. Ab initio study of structures and binding energies for anion–water complexes. J. Am. Chem. Soc. 108, 4784–4790 (1986).

Weck, G., Milet, A., Moszynski, R. & Kochanski, E. Role of cancellation of errors in –calculations: structure and energetics of the OH−(H2O) system and electric dipole properties of the subsystems. J. Phys. Chem. A 106, 12084–12094 (2002).

Otto, R. et al. Reaction dynamics of temperature-variable anion water clusters studied with crossed beams and by direct dynamics. Faraday Discuss. (in press).

Zhang, J. X. & Hase, W. L. Electronic structure theory study of the F− + CH3I → FCH3 + I− potential energy surface. J. Phys. Chem. A 114, 9635–9643 (2010).

Tachikawa, H. Direct ab initio molecular dynamics study on a microsolvated SN2 reaction of OH−(H2O) with CH3Cl. J. Chem. Phys. 125, 133119 (2006).

Hagen, J. et al. Solvent viscosity and friction in protein folding dynamics. Curr. Protein Pept. Sci. 11, 385–395 (2010).

Jimenez, J. L. et al. Evolution of organic aerosols in the atmosphere. Science 326, 1525–1529 (2009).

Gaussian 03, Revision B.04 (Gaussian, Inc., 2004).

Zhang, J. X., Lourderaj, U., Addepalli, S. V., de Jong, W. A. & Hase, W. L. Quantum chemical calculations of the Cl− + CH3I → CH3Cl + I− potential energy surface. J. Phys. Chem. A 113, 1976–1984 (2009).