Abstract
The concept of nuclear spin isomers was already introduced in the early days of quantum mechanics. Despite its importance, not much work has been done to separate them experimentally by pushing the ratio away from its equilibrium value. We propose to use ultrashort laser pulses in a pump–dump-like experiment to enhance the ratio between different nuclear spin isomers. Exemplary wave packet simulations with optimized femtosecond pump and dump laser pulses are shown on a quinodimethane derivative to illustrate that the ratio between two different groups of nuclear spin isomers is enhanced.
Similar content being viewed by others
References
Eucken A (1912) Sitzber Preuss Akad Wiss 141
Mecke R (1925) Z Physik 31:709
Heisenberg W (1927) Z Physik 41:239
Hund F (1927) Z Physik 42:93
Bonhoeffer K, Harteck P (1929) Naturwissenschaften 17:182
Farkas A (1935) Orthohydrogen, parahydrogen and heavy hydrogen. Cambridge University Press, London
Buntkowsky G, Limbach HH (2006) Dihydrogen and symmetry: the role of symmetry on the chemistry of dihydrogen transfer in the light of NMR spectroscopy. In: Hynes JT, Klinman J, Limbach HH, Schowen RL (eds) Hydrogen-transfer reactions, vol 2. Wiley-VCH, Weinheim
Quack M (1977) Mol Phys 34:477
Bunker PR, Jensen P (2009) Spectroscopy and broken symmetry. Elsevier, Amsterdam
Chapovsky PL, Hermans LJF (1999) Annu Rev Phys Chem 50:315
Sandler YL (1954) J Phys Chem 58:58
Cunningham CM, Johnston HL (1958) J Am Chem Soc 80:2382
Panfilov V, Strunin V, Chapovsky PL (1983) Sov Phys J Exp Theor Phys 58:510
Chapovsky PL, Krasnoperov LN, Panfilov VN, Strunin VP (1985) Chem Phys 97:449
Bakarev AE, Chapovsky PL (1986) J Exp Theor Phys Lett 44:4
Chapovsky PL (1990) Sov Phys J Exp Theor Phys 70:895
Chapovsky P, Cosléou J, Herlemont F, Khelkhal M, Legrand J (2000) Chem Phys Lett 322:424
Peters G, Schramm B (1999) Chem Phys Lett 302:181
Sun ZD, Takagi K, Matsushima F (2005) Science 310(5756):1938
Tikhonov VI, Volkov AA (2002) Science 296(5577):2363
Kravchuk T, Reznikov M, Tichonov P, Avidor N, Meir Y, Bekkerman A, Alexandrowicz G (2011) Science 331(6015):319
Horke DA, Chang YP, Długołȩcki K, Küpper J (2014) Chem Int Ed 53:11965
Gel’mukhanov FK, Shalagin AM (1979) J Exp Theor Phys Lett 29:773
Al-Jabour S (2011) Molecular symmetry, quantum chemistry and dynamics: simulation of laser driven molecular torsion in the presence of a conical intersection (Dissertation, Freie Universität Berlin)
Fujimura Y, González L, Hoki K, Kröner D, Manz J, Ohtsuki Y (1999) Chem Phys Lett 310:578
Brackhagen O, Busse H, Giraud-Girard J, Manz J, Oppel M (2000) J Chem Phys 112:8819
Evers F, Giraud-Girard J, Grimme S, Manz J, Monte C, Oppel M, Rettig W, Saalfrank P, Zimmermann P (2001) J Phys Chem A 105:2911
Hoki K, Kröner D, Manz J (2001) Chem Phys 267:59
Manz J, Proppe B, Schmidt B (2002) Phys Chem Chem Phys 4:1876
Fujimura Y, González L, Kröner D, Manz J, Mehdaoui I, Schmidt B (2004) Chem Phys Lett 386:248
Kröner D, Klaumützer B (2007) Phys Chem Chem Phys 9:5009
Obaid R, Leibscher M (2015) J Chem Phys 142(6):064315
Obaid R, Kinzel D, Oppel M, González L (2014) J Chem Phys 141:164323
Roos BO, Taylor PR, Siegbahn PEM (1980) Chem Phys 48:157
Belz S, Deeb O, González L, Grohman T, Kinzel D, Leibscher M, Manz J, Obaid R, Oppel M, Xavier GD, Zilberg S (2013) Z Phys Chem 227:1021
Lehtovaara L, Toivanen J, Eloranta J (2007) J Comp Phys 221:148
Feit MD, Fleck JA Jr (1983) J Chem Phys 78:301
Leforestier C, Bisseling RH, Cerjan C, Feit MD, Friesner R, Guldberg A, Hammerich A, Jolicard G, Karrlein W, Meyer HD, Lipkin N, Roncero O, Kosloff R (1991) J Comput Phys 94:59
Levy DH (1981) Science 214:263
Rulliere C (2004) Femtosecond laser pulses: principles and experiments. Advanced texts in physics. Springer, Berlin
Acknowledgments
We specially would like to thank Jörn Manz for suggesting these calculations but also Monika Leibscher, Thomas Grohmann and Omar Deeb for fruitful discussions. Financial support by the Deutsche Forschungsgemeinschaft via projects GO 1059/7-3 and MA 515/25-3 is gratefully acknowledged.
Author information
Authors and Affiliations
Corresponding author
Additional information
Published as part of the special collection of articles derived from the 9th Congress on Electronic Structure: Principles and Applications (ESPA 2014).
Rights and permissions
About this article
Cite this article
Obaid, R., Kinzel, D., Oppel, M. et al. Separating nuclear spin isomers using a pump–dump laser scheme. Theor Chem Acc 134, 46 (2015). https://doi.org/10.1007/s00214-015-1644-4
Received:
Accepted:
Published:
DOI: https://doi.org/10.1007/s00214-015-1644-4