RT Journal Article T1 Stabilization of chiral molecules by decoherence and environment interactions in the gas phase A1 Gonzalo Fonrodona, Isabel A1 Bargueño de Retes, Pedro AB We study the tunnel dynamics of a chiral molecule between its left (L) and right (R) conformations, under the global effect of collisional decoherence together with the effect of a mean-field generated by the environment where an energetic difference, K, between homochiral and heterochiral interactions is assumed. We show that this decoherence leads unavoidably to equal populations of the L and R chiral conformations even for a high enough value of K which tends to keep localized an initial chiral state. However, we also show that K contributes to the stabilization of an initial L or R state for times that could be many orders of magnitude larger than the tunneling time, in the case the decoherence rate is much greater than the tunneling rate. In this case, an estimation of this stabilization time and a critical tunneling time is made. Even in the case in which the tunneling rate is greater than the decoherence rate, the effect of K is to keep localized the initial chiral state for times greater than the tunneling time. A possible slight chiral asymmetry is also considered. PB Royal Society of Chemistry SN 1463-9076 YR 2011 FD 2011-08-24 LK https://hdl.handle.net/20.500.14352/44512 UL https://hdl.handle.net/20.500.14352/44512 LA eng NO 1 F. Hund, Z. Phys., 1927, 43, 805.2 M. Simonius, Phys. Rev. Lett., 1978, 40, 980.3 R. A. Harris and L. Stodolsky, J. Chem. Phys., 1981, 74, 2145.4 R. A. Harris and R. Silbey, J. Chem. Phys., 1983, 78, 7330.5 R. A. Harris and R. Silbey, J. Chem. Phys., 1985, 83, 1069.6 R. Silbey and R. A. Harris, J. Phys. Chem., 1989, 93, 7062.7 J. Trost and K. Hornberger, Phys. Rev. Lett., 2009, 103, 023202.8 P. W. Anderson, Phys. Rev., 1949, 75, 1450.9 H. Margenau, Phys. Rev., 1949, 76, 1423.10 P. Claverie and G. Jona-Lasinio, Phys. Rev. A, 1986, 33, 2245.11 M. Cattani, J. Quant. Spectrosc. Radiat. Transfer, 1991, 46, 507.12 M. Cattani and J. M. F. Bassalo, J. Quant. Spectrosc. Transfer, 2006, 102, 441.13 G. Jona-Lasinio, C. Presilla and C. Toninelli, Phys. Rev. Lett., 2002, 88, 123001.14 A. Vardi, J. Chem. Phys., 2000, 112, 8743.15 M. Quack, J. Stohner and M. Willeke, Annu. Rev. Phys. Chem., 2008, 59, 741.16 P. Bargueño, I. Gonzalo and R. Pérez de Tudela, Phys. Rev. A, 2009, 80, 012110.17 P. Bargueño, I. Gonzalo, R. Pérez de Tudela and S. Miret-Artés, Chem. Phys. Lett., 2009, 486, 204.18 I. Gonzalo, P. Bargueño, R. Pérez de Tudela and S. Miret-Artés, Chem. Phys. Lett., 2010, 489, 127.19 B. Darquié , C. Stoeffler, A. Shelkovnikov, C. Daussy, et al., Chirality, 2010, 22, 870.20 P. Bargueño, R. Pérez de Tudela, I. Gonzalo and S. Miret- Artés, Phys. Chem. Chem. Phys., 2011, 13, 806.21 P. Bargueño, I. Gonzalo and S. Miret-Artés, Phys. Chem. Chem. Phys., 2011, 13, 850.22 R. Bast, A. Koers, A. Severo Pereira Gomes, M. Ilias, et al., Phys. Chem. Chem. Phys., 2011, 13, 864.23 M. J. Vlot, J. C. van Miltenburg and H. A. Oonk, J. Chem. Phys., 1997, 107, 101012. NO This journal is © the Owner Societies 2011. One of the authors (I. G.) acknowledges fruitful discussions with A. S. Sanz and F. Carreño. This work was supported by MICINN (Spain) through projects FIS2010-22082, FIS2010-21372, and through the Juan de la Cierva program (P. B.). NO Ministerio de Ciencia e Innovación (MICINN), España NO Ministerio de Economía y Competitividad (MINECO), España DS Docta Complutense RD 3 may 2024