Chemical distinction by nuclear spin optical rotation

Physical Review Letters

Volumn 105, Issue 15, 2010, Pages

  Ikäläinen, Suvi ^a   Romalis, Michael V ^b   Lantto, Perttu ^c   Vaara, Juha ^a,c  

^a UNIVERSITY OF HELSINKI   (Finland)

^b PRINCETON UNIVERSITY   (United States)

^c UNIVERSITY OF OULU   (Finland)

Author keywords

[No Author keywords available]

Indexed keywords

EXTERNAL MAGNETIC FIELD; FARADAY ROTATIONS; FIRST-PRINCIPLES CALCULATION; LASER WAVELENGTH; MAGNETIC NUCLEI; NITROMETHANE; NUCLEAR SPINS; OPTICAL RESONANCE; PROTONATED SCHIFF BASE; VERDET CONSTANT;

CHROMOPHORES; ETHANOL; FARADAY EFFECT; FUNCTIONAL GROUPS; MAGNETIC FIELD EFFECTS; MAGNETIC RESONANCE; OPTICAL ROTATION; QUANTUM OPTICS; ROTATION; SPIN DYNAMICS; UREA;

CHEMICAL DETECTION;

EID: 77957567686     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.105.153001     Document Type: Article

References (32)

1. A.D. Buckingham and L.C. Parlett, Science 264, 1748 (1994); SCIEAS 0036-8075 10.1126/science.264.5166.1748
2. A.D. Buckingham L.C. Parlett Mol. Phys. 91, 805 (1997). MOPHAM 0026-8976 10.1080/00268979709482771
3. W.S. Warren, S. Mayr, D. Goswamy, and A.P. West, Jr., Science 255, 1683 (1992); SCIEAS 0036-8075 10.1126/science.1553555
4. W. Warren, Mol. Phys. 93, 371 (1998). MOPHAM 0026-8976 10.1080/002689798169041
5. R.A. Harris and I. Tinoco, Jr., J. Chem. Phys. 101, 9289 (1994). JCPSA6 0021-9606 10.1063/1.467959
6. L. Li, J. Phys. Chem. A 102, 10385 (1998). JPCAFH 1089-5639 10.1021/jp982748y
7. M. Jaszuński and A. Rizzo, Mol. Phys. 96, 855 (1999). MOPHAM 0026-8976 10.1080/00268979909483023
8. R.H. Romero and J. Vaara, Chem. Phys. Lett. 400, 226 (2004). CHPLBC 0009-2614 10.1016/j.cplett.2004.10.113
9. S. Ikäläinen, P. Lantto, P. Manninen, and J. Vaara, J. Chem. Phys. 129, 124102 (2008). JCPSA6 0021-9606 10.1063/1.2977741
10. I.M. Savukov, S.-K. Lee, and M.V. Romalis, Nature (London) NATUAS 0028-0836 442, 1021 (2006). 10.1038/nature05088
11. T. Lu, Chem. Phys. Lett. 479, 14 (2009). CHPLBC 0009-2614 10.1016/j.cplett.2009.07.102
12. A.D. Buckingham and P.J. Stephens, Annu. Rev. Phys. Chem. 17, 399 (1966); ARPLAP 0066-426X 10.1146/annurev.pc.17.100166.002151
13. A.D. Buckingham, Phil. Trans. R. Soc. A PTRMAD 1364-503X 293, 239 (1979). 10.1098/rsta.1979.0093
14. J. Olsen and P. Jørgensen, J. Chem. Phys. 82, 3235 (1985). JCPSA6 0021-9606 10.1063/1.448223
15. H. Hettema, J. Chem. Phys. 97, 1174 (1992); JCPSA6 0021-9606 10.1063/1.463245
16. P. Sałek, J. Chem. Phys. 117, 9630 (2002); JCPSA6 0021-9606 10.1063/1.1516805
17. C. Hättig, Chem. Phys. Lett. 269, 428 (1997). CHPLBC 0009-2614 10.1016/S0009-2614(97)00311-4
18. Dalton, Release 2.0, (2005). http://www.kjemi.uio.no/software/dalton/ dalton.html.
19. O. Christiansen, H. Koch, and P. Jørgensen, Chem. Phys. Lett. 243, 409 (1995). CHPLBC 0009-2614 10.1016/0009-2614(95)00841-Q
20. P. Manninen and J. Vaara, J. Comput. Chem. 27, 434 (2006). JCCHDD 0192-8651 10.1002/jcc.20358
21. S. Ikäläinen, P. Lantto, P. Manninen, and J. Vaara, Phys. Chem. Chem. Phys. 11, 11404 (2009). PPCPFQ 1463-9076 10.1039/b919860a
22. A. Balbin Villaverde and D.A. Donatti, J. Chem. Phys. 71, 4021 (1979). JCPSA6 0021-9606 10.1063/1.438169
23. M. Krykunov, A. Banerjee, T. Ziegler, and J. Autschbach, J. Chem. Phys. 122, 074105 (2005). JCPSA6 0021-9606 10.1063/1.1850919
24. C.E. Waring and R.L. Custer, J. Am. Chem. Soc. 74, 2506 (1952). JACSAT 0002-7863 10.1021/ja01130a016
25. L.R. Ingersoll and D.H. Liebenberg, J. Opt. Soc. Am. 48, 339 (1958). JOSAAH 0030-3941 10.1364/JOSA.48.000339
26. See supplementary material at http://link.aps.org/supplemental/10.1103/ PhysRevLett.105.153001 for the molecular structures, atom numbering, analysis of DFT performance, and Verdet as well as NSOR results.
27. J.P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996); PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
28. J.P. Perdew K. Burke M. Ernzerhof Phys. Rev. Lett. 78, 1396(E) (1997). PRLTAO 0031-9007 10.1103/PhysRevLett.78.1396
29. C. Lee, W. Yang, and R.G. Parr, Phys. Rev. B PRBMDO 0163-1829 37, 785 (1988). 10.1103/PhysRevB.37.785
30. A.D. Becke, J. Chem. Phys. 98, 1372 (1993). JCPSA6 0021-9606 10.1063/1.464304
31. T.S. Pennanen, J. Am. Chem. Soc. 126, 11093 (2004). JACSAT 0002-7863 10.1021/ja048049i
32. R. Send and D. Sundholm, Phys. Chem. Chem. Phys. 9, 2862 (2007). PPCPFQ 1463-9076 10.1039/b616137e