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AbstractAbstract
[en] In this thesis the wave packet dynamics of nuclear spin isomers of polyatomic molecules after interaction with static and time-dependent magnetic fields and moderate intense nonresonant laser pulses is investigated. In particular, the process of inducing (internal) molecular rotation as well as alignment of molecules by manipulating their rotational or rotational-torsional degrees of freedom is studied. In the first part of the thesis all theoretical concepts for identifying nuclear spin isomers and for describing their quantum dynamics will be discussed. Especially the symmetrization postulate and themolecular symmetry group will be introduced and illustrated for some examples of molecules. These concepts will be extended to the case of identifying nuclear spin isomers in the presence of an external field. In the second part it is shown for nitromethane that magnetic fields are able to induce unidirectional rotations in opposite directions for different nuclear spin isomers of molecules containing methyl groups if the dipolar interaction is included. Additionally, it is demonstrated that different nuclear spin isomers of a chemical compound may show different alignment after the interaction with a moderate intense laser pulse. As shown for the rigid symmetric top propadien and the rigid asymmetric tops ethene and analogues, distinct pairs of nuclear spin isomers show at certain points in time a complementary behavior: while one isomer is showing alignment the partner isomer is showing anti-alignment. Moreover, it is illustrated that not every nuclear spin isomer can be aligned equally efficient. The alignment of non-rigid molecules is considered as well. As an example for a molecule with feasible torsion in the electronic ground state, the alignment of diboron tetrafluoride is investigated. It becomes apparent that not only rotational but also the torsional dynamics of the molecules is nuclear spin selective; different nuclear spin isomers have at distinct points in time a complementary molecular structure. As an application of nuclear spin selective quantum dynamics, the possibility is explored how two laser pulses can be used for exciting directed motions differently for different nuclear spin isomers. Likewise, the separation of isotopomers is discussed. The thesis closes with a discussion of the models used here and an outlook on how the obtained results may be used to separate nuclear spin isomers.
Original Title
Theoretische Untersuchung zur Quantendynamik der Kernspinisomere nicht-linearer Molekuele
Primary Subject
Source
31 May 2012; 320 p; Diss. (Dr.rer.nat.)
Record Type
Miscellaneous
Literature Type
Thesis/Dissertation
Report Number
Country of publication
ALKENES, BORON COMPOUNDS, BORON HALIDES, CHEMICAL EXPLOSIVES, DIENES, ELECTROMAGNETIC RADIATION, ENERGY LEVELS, EXPLOSIVES, FLUORIDES, FLUORINE COMPOUNDS, HALIDES, HALOGEN COMPOUNDS, HYDROCARBONS, MECHANICS, MOTION, NITRO COMPOUNDS, ORGANIC COMPOUNDS, ORGANIC NITROGEN COMPOUNDS, ORIENTATION, POLYENES, PULSES, RADIATIONS
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