Chemical Distinction by Nuclear Spin Optical Rotation

Suvi Ikäläinen, Michael V. Romalis, Perttu Lantto, and Juha Vaara
Phys. Rev. Lett. 105, 153001 – Published 5 October 2010
PDFHTMLExport Citation

Abstract

Nuclear spin optical rotation (NSOR) arising from the Faraday effect constitutes a novel, advantageous method for detection of nuclear magnetic resonance, provided that a distinction is seen between different chemical surroundings of magnetic nuclei. Efficient first-principles calculations for isolated water, ethanol, nitromethane, and urea molecules at standard laser wavelengths reveal a range of NSOR for different molecules and inequivalent nuclei, indicating the existence of an optical chemical shift. H1 results for H2O(l) are in excellent agreement with recent pioneering experiments. We also evaluate, for the same systems, the Verdet constants of Faraday rotation due to an external magnetic field. Calculations of NSOR in ethanol and a 11-cis-retinal protonated Schiff base imply an enhanced chemical distinction between chromophores at laser wavelengths approaching optical resonance.

  • Figure
  • Figure
  • Received 28 June 2010

DOI:https://doi.org/10.1103/PhysRevLett.105.153001

© 2010 The American Physical Society

Authors & Affiliations

Suvi Ikäläinen

  • Laboratory of Physical Chemistry, Department of Chemistry, P.O. Box 55 (A.I. Virtasen aukio 1), FIN-00014 University of Helsinki, Helsinki, Finland

Michael V. Romalis

  • Department of Physics, Princeton University, Princeton, New Jersey, 08544, USA

Perttu Lantto and Juha Vaara*

  • NMR Research Group, Department of Physics, P.O. Box 3000, FIN-90014 University of Oulu, Oulu, Finland

  • *Also at the Laboratory of Physical Chemistry, University of Helsinki, Finland; juha.vaara@oulu.fi

Article Text (Subscription Required)

Click to Expand

Supplemental Material (Subscription Required)

Click to Expand

References (Subscription Required)

Click to Expand
Issue

Vol. 105, Iss. 15 — 8 October 2010

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review Letters

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×