Observation of optical chemical shift by precision nuclear spin optical rotation measurements and calculations

Journal of Physical Chemistry Letters

Volumn 4, Issue 3, 2013, Pages 437-441

  Shi, Junhui ^a   Ikäläinen, Suvi ^b   Vaara, Juha ^c   Romalis, Michael V ^a  

^a PRINCETON UNIVERSITY   (United States)

^b AALTO UNIVERSITY   (Finland)

^c UNIVERSITY OF OULU   (Finland)

Author keywords

hyperfine interactions; NMR; nuclear spin optical rotation; organic liquids

Indexed keywords

CHEMICAL ENVIRONMENT; HYPERFINE INTERACTIONS; MULTI-PASS; NUCLEAR SPINS; OPTICAL CELLS; ORGANIC LIQUID; PRECISION MEASUREMENT; PROTON SIGNALS; QUANTUM MECHANICAL; ROTATION MEASUREMENT; THEORETICAL PREDICTION;

CALCULATIONS; NUCLEAR MAGNETIC RESONANCE; PHOTOEXCITATION; QUANTUM THEORY; SPIN DYNAMICS;

OPTICAL ROTATION;

EID: 84873423787     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz3018539     Document Type: Article

References (31)

1. Warren, W. S.; Mayr, S.; Goswami, D.; West, A. P. Laser Enhanced NMR Spectroscopy Science 1992, 255, 1683-1685
2. Buckingham, A.; Parlett, L. C. High-Resolution Nuclear Magnetic Resonance Spectroscopy in a Circularly Polarized Laser Beam Science 1994, 264, 1748-50 (Pubitemid 24227752)
3. Warren, W.; Goswami, D.; Mayr, S. Laser Enhanced NMR Spectroscopy, Revisited Mol. Phys. 1998, 93, 371-375 (Pubitemid 128480183)
4. Savukov, I. M.; Lee, S. K.; Romalis, M. V. Optical Detection of Liquid-State NMR Nature 2006, 442, 1021-1024 (Pubitemid 44330256)
5. Ikäläinen, S.; Romalis, M. V.; Lantto, P.; Vaara, J. Chemical Distinction by Nuclear Spin Optical Rotation Phys. Rev. Lett. 2010, 105, 153001
6. Pagliero, D.; Dong, W.; Sakellariou, D.; Meriles, C. A. Time-Resolved, Optically Detected NMR of Fluids at High Magnetic Field J. Chem. Phys. 2010, 133, 154505
7. Pagliero, D.; Meriles, C. A. Magneto-Optical Contrast in Liquid-State Optically Detected NMR Spectroscopy Proc. Natl. Acad. Sci. U.S.A. 2011, 108, 19510-19515
8. Lu, T.; He, M.; Chen, D.; He, T.; Liu, F.-c. Nuclear-Spin-Induced Optical Cotton-Mouton Effect in Fluids Chem. Phys. Lett. 2009, 479, 14-19
9. Yao, G.-h.; He, M.; Chen, D.-m.; He, T.-j.; Liu, F.-c. Analytical Theory of the Nuclear-Spin-Induced Optical Rotation in Liquids Chem. Phys. 2011, 387, 39-47
10. Ikäläinen, S.; Lantto, P.; Vaara, J. Fully Relativistic Calculations of Faraday and Nuclear Spin-Induced Optical Rotation in Xenon J. Chem. Theory Comput. 2012, 8, 91-98
11. Pennanen, T. S.; Ikäläinen, S.; Lantto, P.; Vaara, J. Nuclear Spin Optical Rotation and Faraday Effect in Gaseous and Liquid Water J. Chem. Phys. 2012, 136, 184502
12. Silver, J. A. Simple Dense-Pattern Optical Multipass Cells Appl. Opt. 2005, 44, 6545-6556 (Pubitemid 41727071)
13. Li, S.; Vachaspati, P.; Sheng, D.; Dural, N.; Romalis, M. V. Optical Rotation in Excess of 100 rad Generated by Rb Vapor in a Multipass Cell Phys. Rev. A 2011, 84, 061403
14. Zavattini, E. New PVLAS Results and Limits on Magnetically Induced Optical Rotation and Ellipticity in Vacuum Phys. Rev. D 2008, 77, 032006
15. Pagliero, D.; Li, Y.; Fisher, S.; Meriles, C. A. Approach to High-Frequency, Cavity-Enhanced Faraday Rotation in Fluids Appl. Opt. 2011, 50, 648-654
16. Pope, R. M.; Fry, E. S. Absorption Spectrum (380-700 nm) of Pure Water. II. Integrating Cavity Measurements Appl. Opt. 1997, 36, 8710-8723 (Pubitemid 28504585)
17. Washburn, E. International Critical Tables of Numerical Data, Physics, Chemistry and Technology(VI). McGraw Hill: New York, 1926.
18. Foehr, E. G.; Fenske, M. R. Magneto-Optic Rotation of Hydrocarbons Ind. Eng. Chem. 1949, 41, 1956-1966
19. Villaverde, A. B.; Donatti, D. A. Verdet Constant of Liquids; Measurements with a Pulsed Magnetic Field J. Chem. Phys. 1979, 71, 4021-4024
20. Lagemann, R. T. The Verdet Constant of Certain Liquid Fluorocarbons J. Am. Chem. Soc. 1949, 71, 368-369
21. Buckingham, A. D.; Stephens, P. J. Magnetic Optical Activity Annu. Rev. Phys. Chem. 1966, 17, 399-432
22. Buckingham, A. D.; Long, D. A. Polarizability and Hyperpolarizability Philos. Trans. R. Soc. London, Ser. A 1979, 293, 239-248
23. Olsen, J.; Jørgensen, P. Linear and Nonlinear Response Functions for an Exact State and for an MCSCF State J. Chem. Phys. 1985, 82, 3235-3264
24. Vaara, J. Theory and Computation of Nuclear Magnetic Resonance Parameters Phys. Chem. Phys. Chem. Phys. 2007, 9, 5399-5418
25. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gaussian 03; Gaussian, Inc.: Wallingford, CT, 2004.
26. DALTON2011, A Molecular Electronic Structure Program. http://www.daltonprogram.org (2011).
27. Hettema, H.; Jensen, H. J. Aa.; Jørgensen, P.; Olsen, J. Quadratic Response Functions for a Multiconfigurational Self-Consistent Field Wave Function J. Chem. Phys. 1992, 97, 1174-1190
28. Sałek, P.; Vahtras, O.; Helgaker, T.; Ågren, H. Density-Functional Theory of Linear and Nonlinear Time-Dependent Molecular Properties J. Chem. Phys. 2002, 117, 9630-9645
29. Hättig, C.; Christiansen, O.; Koch, H.; Jørgensen, P. Frequency-Dependent First Hyperpolarizabilities Using Coupled Cluster Quadratic Response Theory Chem. Phys. Lett. 1997, 269, 428-434 (Pubitemid 127161966)
30. Manninen, P.; Vaara, J. Systematic Gaussian Basis-Set Limit Using Completeness-Optimized Primitive Sets. A Case for Magnetic Properties J. Comput. Chem. 2006, 27, 434-445
31. Ikäläinen, S.; Lantto, P.; Manninen, P.; Vaara, J. Laser-Induced Nuclear Magnetic Resonance Splitting in Hydrocarbons J. Chem. Phys. 2008, 129, 124102