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Study of HgOH to Assess Its Suitability for Electron Electric Dipole Moment Searches

Mitra, Ramanuj and Prasannaa, V. Srinivasa and Sahoo, Bijaya K. and Hutzler, Nicholas R. and Abe, Minori and Das, Bhanu Pratap (2021) Study of HgOH to Assess Its Suitability for Electron Electric Dipole Moment Searches. Atoms, 9 (1). Art. No. 7. ISSN 2218-2004. doi:10.3390/atoms9010007.

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In search of suitable molecular candidates for probing the electric dipole moment (EDM) of the electron (de), a property that arises due to parity and time-reversal violating (P,T-odd) interactions, we consider the triatomic mercury hydroxide (HgOH) molecule. The impetus for this proposal is based on previous works on two systems: the recently proposed ytterbium hydroxide (YbOH) experiment [Phys. Rev. Lett. 119, 133002 (2017)] that demonstrates the advantages of polyatomics for such EDM searches, and the finding that mercury halides provide the highest enhancement due to de compared to other diatomic molecules [Phys. Rev. Lett. 114, 183001 (2015)]. We identify the ground state of HgOH as being in a bent geometry, and show that its intrinsic EDM sensitivity is comparable to the corresponding value for YbOH. Along with the theoretical results, we discuss plausible experimental schemes for an EDM measurement in HgOH. Furthermore, we provide pilot calculations of the EDM sensitivity for de for HgCH₃ and HgCF₃, that are natural extensions of HgOH.

Item Type:Article
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URLURL TypeDescription
Prasannaa, V. Srinivasa0000-0002-5115-9295
Sahoo, Bijaya K.0000-0003-4397-7965
Hutzler, Nicholas R.0000-0002-5203-3635
Abe, Minori0000-0001-7420-9454
Das, Bhanu Pratap0000-0002-3766-6979
Additional Information:© 2021 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license ( Received: 27 November 2020 / Revised: 14 January 2021 / Accepted: 14 January 2021 / Published: 19 January 2021. (This article belongs to the Section Quantum Chemistry, Computational Chemistry and Molecular Physics) We would like to thank A. C. Vutha, Phelan Yu, X. Tong and Z. C. Yan for insightful discussions. All the computations were performed on the Vikram-100 super-computing cluster facility at the Physical Research Laboratory, Ahmedabad and we wish to thank Jigar Raval for his continuous support in successfully running our programs. This research received no external funding. Data Availability Statement. All the necessary data have been provided in the text for this theoretical work. Institutional Review Board Statement - Not applicable. Informed Consent Statement - Not applicable. The authors declare no conflict of interest.
Subject Keywords:electron electric dipole moment; polyatomic molecules; HgOH; effective electric field; molecular electric dipole moment
Issue or Number:1
Record Number:CaltechAUTHORS:20210120-163853931
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Official Citation:Mitra, R.; Prasannaa, V.S.; Sahoo, B.K.; Hutzler, N.R.; Abe, M.; Das, B.P. Study of HgOH to Assess Its Suitability for Electron Electric Dipole Moment Searches. Atoms 2021, 9, 7.
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:107609
Deposited By: George Porter
Deposited On:21 Jan 2021 14:50
Last Modified:16 Nov 2021 19:04

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