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Structural determination and population transfer of 4-nitroanisole by broadband microwave spectroscopy and tailored microwave pulses

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Graneek,  J. B.
Structure and Dynamics of Cold and Controlled Molecules, Independent Research Groups, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
Deutsches Elektronen-Synchrotron DESY;

/persons/resource/persons188136

Pérez,  C.
Structure and Dynamics of Cold and Controlled Molecules, Independent Research Groups, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
Deutsches Elektronen-Synchrotron DESY;

/persons/resource/persons22077

Schnell,  M.
Structure and Dynamics of Cold and Controlled Molecules, Independent Research Groups, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
Deutsches Elektronen-Synchrotron DESY;
Christian-Albrechts-Universität zu Kiel;

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https://dx.doi.org/10.1063/1.4991902
(Publisher version)

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1.4991902.pdf
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Citation

Graneek, J. B., Pérez, C., & Schnell, M. (2017). Structural determination and population transfer of 4-nitroanisole by broadband microwave spectroscopy and tailored microwave pulses. The Journal of Chemical Physics, 147(15): 154306. doi:10.1063/1.4991902.


Cite as: https://hdl.handle.net/21.11116/0000-0001-9E6E-3
Abstract
The rotational spectrum of 4-nitroanisole was recorded via chirped-pulse Fourier transform microwave spectroscopy in the frequency range of 2-8 GHz. The spectra of the parent molecule and all of its 13C-, 15N-, and 18O-monosubstituted species in their natural abundance were assigned, and the molecular structure was determined using Kraitchman’s equations as well as a least-square fitting approach. 4-nitroanisole has a large dipole moment of 6.15 D along the inertial a-axis and a smaller dipole moment of 0.78 D along the b-axis. The large dipole moment component makes this molecule a potential candidate for deceleration experiments using static electric fields or electromagnetic radiation. Using tailored microwave pulses, we investigate the possibility of transferring population between the rotational states of 4-nitroanisole. Such a technique could be applied to selectively increase the population for specific rotational states of interest, which are then accessible for further, more advanced experiments, such as deceleration.