Nuclear‐Spin‐Induced Cotton–Mouton Effect in a Strong External Magnetic Field

Abstract

Novel, high-sensitivity and high-resolution spectroscopic methods can provide site-specific nuclear information by exploiting nuclear magneto-optic properties. We present a first-principles electronic structure formulation of the recently proposed nuclear-spin-induced Cotton-Mouton effect in a strong external magnetic field (NSCM-B). In NSCM-B, ellipticity is induced in a linearly polarized light beam, which can be attributed to both the dependence of the symmetric dynamic polarizability on the external magnetic field and the nuclear magnetic moment, as well as the temperature-dependent partial alignment of the molecules due to the magnetic fields. Quantum-chemical calculations of NSCM-B were conducted for a series of molecular liquids. The overall order of magnitude of the induced ellipticities is predicted to be 10(-11) -10(-6) rad T(-1) M(-1) cm(-1) for fully spin-polarized nuclei. In particular, liquid-state heavy-atom systems should be promising for experiments in the Voigt setup.

Relation between molecular electronic structure and nuclear spin-induced circular dichroism

“…The differences in rotation between molecules have already been experimentally verified5, while high-resolution nuclear site specificity still awaits experimental confirmation. While NSOR is the only experimentally observed NMOS effect to date, its discovery has inspired a number of theoretical works suggesting existence of further effects691213141516, among them the NSCD, the focus of this paper.…”

“…Recent years have seen both experimental progress12345 in, as well as many theoretical proposals678910111213141516 of, spectroscopies based on nuclear magneto-optic phenomena (termed nuclear magneto-optic spectroscopy, NMOS). NMOS methods, which manifest themselves through modulation of the polarization state of light passing through a nuclear spin-polarized sample, can be thought of as analogues of the classical magneto-optic phenomena17, formally obtained by exchanging the externally applied magnetic field by the field originating from a macroscopic magnetization of an ensemble of nuclear spins.…”

“…NMOS methods, which manifest themselves through modulation of the polarization state of light passing through a nuclear spin-polarized sample, can be thought of as analogues of the classical magneto-optic phenomena17, formally obtained by exchanging the externally applied magnetic field by the field originating from a macroscopic magnetization of an ensemble of nuclear spins. In this way, Faraday rotation18 becomes nuclear spin-induced optical rotation (NSOR)1, the classical Cotton-Mouton effect1920 becomes nuclear spin-induced Cotton-Mouton effect (NSCM)691314, or nuclear quadrupole-induced Cotton-Mouton effect (NQCM)1215, and the classical magnetic circular dichroism (MCD)212223 gives rise to the nuclear spin-induced circular dichroism (NSCD)16.…”

Amythiamicin D and Related Thiopeptides as Inhibitors of the Bacterial Elongation Factor EF‐Tu: Modification of the Amino Acid at Carbon Atom C2 of Ring C Dramatically Influences Activity

“…3, 5. Then the magnetic linear birefringence (the Cotton–Mouton effect) is induced by the external magnetic field B 0 , prepolarized nuclear magnetic moment ${m_z^{({\rm{I}})} }$ , and their cross effect ${B_0 m_z^{({\rm{I}})} }$ ,10–13 which makes linearly polarized incident light become elliptically polarized light with ellipticity angle ψ C–M through the medium. How do we distinguish IR‐NSCD ( ψ IR ) from the Cotton–Mouton effect ψ C–M in the experiment?…”

Nuclear‐Spin‐Induced Circular Dichroism in the Infrared Region for Liquids

“…[3,5]. Then the magnetic linear birefringence (the Cotton-Mouton effect) is induced by the external magnetic field B 0 ,p repolarized nuclear magnetic moment m ðIÞ z ,a nd their cross effect B 0 m ðIÞ z , [10][11][12][13] which makes linearly polarized incident light become elliptically polarized light with ellipticity angle y C-M through the medium. How do we distinguish IR-NSCD (y IR ) from the Cotton-Mouton effect y C-M in the experiment?A si n Refs.…”