{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,24]],"date-time":"2026-09-24T04:10:59Z","timestamp":1790223059442,"version":"4.1.0"},"reference-count":31,"publisher":"AIP Publishing","issue":"12","license":[{"start":{"date-parts":[[2026,9,23]],"date-time":"2026-09-23T00:00:00Z","timestamp":1790121600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100017642","name":"Spanish National Plan for Scientific and Technical Research and Innovation","doi-asserted-by":"publisher","award":["PID2023-147215NB-I00"],"award-info":[{"award-number":["PID2023-147215NB-I00"]}],"id":[{"id":"10.13039\/501100017642","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["pubs.aip.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2026,9,28]]},"abstract":"<jats:p>Quantum dynamics of collisional cooling of the BN\u2212 anion in a cold trap is carried out by using the ortho- and para-H2 molecules as a buffer gas. The calculations are performed using the full four-dimensional interaction potential energy surface in which both BN\u2212 and H2 are treated as vibrationless rigid rotors, computed from ab\u00a0initio methods and further accurately fitted using an artificial neural network approach. Relevant state-to-state rotationally inelastic cross sections are computed from quantum methods, and the ensuing inelastic rate coefficients for the temperatures of interest are obtained. The latter are employed in modeling the cooling process at a variety of trap conditions. The results are discussed in the context of earlier data obtained using the rare gases He and Ar as buffer gases in the same trap. The effects of having either para- or ortho-H2 as a collision partner are analyzed.<\/jats:p>","DOI":"10.1063\/5.0343750","type":"journal-article","created":{"date-parts":[[2026,9,23]],"date-time":"2026-09-23T11:10:23Z","timestamp":1790161823000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":1,"title":["Beyond rare gases: Cooling of trapped BN\u2212 ions by H2 molecules"],"prefix":"10.1063","volume":"165","author":[{"ORCID":"https:\/\/orcid.org\/0009-0002-4431-3511","authenticated-orcid":false,"given":"S.","family":"Rana","sequence":"first","affiliation":[{"name":"School of Chemical Sciences, National Institute of Science Education and Research (NISER) Bhubaneswar, An OCC of Homi Bhabha National Institute 1 , Khurda, Bhubaneswar, Odisha 752050,","place":["India"]},{"name":"Homi Bhabha National Institute, Training School Complex 2 , Anushakti Nagar, Mumbai 400094,","place":["India"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5550-9694","authenticated-orcid":false,"given":"U.","family":"Lourderaj","sequence":"additional","affiliation":[{"name":"School of Chemical Sciences, National Institute of Science Education and Research (NISER) Bhubaneswar, An OCC of Homi Bhabha National Institute 1 , Khurda, Bhubaneswar, Odisha 752050,","place":["India"]},{"name":"Homi Bhabha National Institute, Training School Complex 2 , Anushakti Nagar, Mumbai 400094,","place":["India"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3567-9936","authenticated-orcid":false,"given":"K.","family":"Giri","sequence":"additional","affiliation":[{"name":"Department of Computational Sciences, Central University of Punjab 3 , Bathinda, Punjab 151401,","place":["India"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7800-5739","authenticated-orcid":false,"given":"L.","family":"Gonz\u00e1lez-S\u00e1nchez","sequence":"additional","affiliation":[{"name":"Departamento de Qu\u00edmica F\u00edsica, University of Salamanca 4 , Plaza de los Ca\u00eddos sn, 37008 Salamanca,","place":["Spain"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9245-9596","authenticated-orcid":false,"given":"E.","family":"Yurtsever","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Ko\u00e7 University 5 , Rumelifeneriyolu, Sariyer, TR-34450 Istanbul,","place":["Turkey"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6402-2765","authenticated-orcid":false,"given":"N.","family":"Sathyamurthy","sequence":"additional","affiliation":[{"name":"Indian Institute of Science Education and Research Mohali 6 , SAS Nagar, Punjab 140306,","place":["India"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0489-6038","authenticated-orcid":false,"given":"K.","family":"Dulitz","sequence":"additional","affiliation":[{"name":"Institut f\u00fcr Ionenphysik und Angewandte Physik, Universit\u00e4t Innsbruck 7 , Technikerstr. 25, Innsbruck,","place":["Austria"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8043-9042","authenticated-orcid":false,"given":"F. A.","family":"Gianturco","sequence":"additional","affiliation":[{"name":"Institut f\u00fcr Ionenphysik und Angewandte Physik, Universit\u00e4t Innsbruck 7 , Technikerstr. 25, Innsbruck,","place":["Austria"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"317","published-online":{"date-parts":[[2026,9,23]]},"reference":[{"key":"2026092307095705100_c1","doi-asserted-by":"publisher","first-page":"213001","DOI":"10.1103\/physrevlett.114.213001","article-title":"Laser cooling of molecular anions","volume":"114","year":"2015","journal-title":"Phys. Rev. Lett."},{"key":"2026092307095705100_c2","doi-asserted-by":"publisher","first-page":"103201","DOI":"10.1103\/physrevlett.123.103201","article-title":"Laser-assisted evaporative cooling of anions","volume":"123","year":"2019","journal-title":"Phys. Rev. Lett."},{"key":"2026092307095705100_c3","doi-asserted-by":"publisher","first-page":"1270","DOI":"10.1038\/s41567-023-02084-6","article-title":"Laser-induced forced evaporative cooling of molecular anions below 4 K","volume":"19","year":"2023","journal-title":"Nat. Phys."},{"key":"2026092307095705100_c4","first-page":"181","volume-title":"Advances in Atomic, Molecular, and Optical Physics","author":"Bederson","year":"1996"},{"key":"2026092307095705100_c5","doi-asserted-by":"publisher","first-page":"75","DOI":"10.1016\/s0009-2614(98)00943-9","article-title":"Anion photoelectron spectroscopy of BN\u2212","volume":"295","year":"1998","journal-title":"Chem. Phys. Lett."},{"key":"2026092307095705100_c6","doi-asserted-by":"publisher","first-page":"025201","DOI":"10.1088\/1361-6455\/ab574f","article-title":"Rotationally inelastic processes of C2\u22122\u03a3g+ colliding with He 1S at low-temperatures: Ab initio interaction potential, state-changing rates and kinetic modelling","volume":"53","year":"2020","journal-title":"J.\u00a0Phys. B: At. Mol. Opt. Phys."},{"key":"2026092307095705100_c7","doi-asserted-by":"publisher","first-page":"e1938267","DOI":"10.1080\/00268976.2021.1938267","article-title":"Beyond the helium buffer: 12C2\u2212 rotational cooling in cold traps with H2 as a partner gas: interaction forces and quantum dynamics","volume":"119","year":"2021","journal-title":"Mol. Phys."},{"key":"2026092307095705100_c8","doi-asserted-by":"publisher","first-page":"183002","DOI":"10.1103\/physrevlett.131.183002","article-title":"Vibrational quenching of optically pumped carbon dimer anions","volume":"131","year":"2023","journal-title":"Phys. Rev. Lett."},{"key":"2026092307095705100_c9","doi-asserted-by":"publisher","first-page":"032817","DOI":"10.1103\/physreva.111.032817","article-title":"Rovibrational quenching calculations of C2\u2212 in collision with H2","volume":"111","year":"2025","journal-title":"Phys. Rev. A"},{"key":"2026092307095705100_c10","doi-asserted-by":"publisher","first-page":"054308","DOI":"10.1063\/5.0282270","article-title":"Quantum dynamics and cooling kinetics of BN\u2212 anions via buffer gases in ion traps","volume":"163","year":"2025","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026092307095705100_c11","doi-asserted-by":"publisher","first-page":"242","DOI":"10.1002\/wcms.82","article-title":"Molpro: A general-purpose quantum chemistry program package","volume":"2","year":"2012","journal-title":"WIREs Comput. Mol. Sci."},{"key":"2026092307095705100_c12","volume-title":"MOLPRO, version 2019.2, a package of ab\u00a0initio programs","year":"2019"},{"key":"2026092307095705100_c13","doi-asserted-by":"publisher","first-page":"054101","DOI":"10.1063\/1.3609809","article-title":"A new internally contracted multi-reference configuration interaction method","volume":"135","year":"2011","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026092307095705100_c14","doi-asserted-by":"publisher","first-page":"2975","DOI":"10.1063\/1.466439","article-title":"Gaussian basis sets for use in correlated molecular calculations. IV. Calculation of static electrical response properties","volume":"100","year":"1994","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026092307095705100_c15","doi-asserted-by":"publisher","first-page":"553","DOI":"10.1080\/00268977000101561","article-title":"The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors","volume":"19","year":"1970","journal-title":"Mol. Phys."},{"key":"2026092307095705100_c16","doi-asserted-by":"publisher","first-page":"4386","DOI":"10.1021\/acs.jctc.9b00312","article-title":"PES-Learn: An open-source software package for the automated generation of machine learning models of molecular potential energy surfaces","volume":"15","year":"2019","journal-title":"J.\u00a0Chem. Theory Comput."},{"key":"2026092307095705100_c17","volume-title":"The Theory of Intermolecular Forces","year":"2013"},{"key":"2026092307095705100_c18","doi-asserted-by":"publisher","first-page":"1426","DOI":"10.1063\/1.1840870","article-title":"Polarizability of the hydrogen molecule","volume":"46","year":"1967","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026092307095705100_c19","first-page":"107","article-title":"Permanent and induced molecular moments and long-range intermolecular forces","volume-title":"Advances in Chemical Physics","year":"1967"},{"key":"2026092307095705100_c20","doi-asserted-by":"publisher","first-page":"2944","DOI":"10.1063\/1.1841160","article-title":"On the quadrupole moment of the hydrogen molecule","volume":"46","year":"1967","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026092307095705100_c21","doi-asserted-by":"publisher","first-page":"113003","DOI":"10.1088\/1367-2630\/ac8a0b","article-title":"Effects of the charge-dipole and charge-quadrupole interactions on the He+ + CO reaction rate coefficients at low collision energies","volume":"24","year":"2022","journal-title":"New J. Phys."},{"key":"2026092307095705100_c22","doi-asserted-by":"publisher","first-page":"055411","DOI":"10.1088\/1402-4896\/adce43","article-title":"Laser-optical cycling of cryogenically cooled BN\u2212 molecular anions","volume":"100","year":"2025","journal-title":"Phys. Scr."},{"key":"2026092307095705100_c23","doi-asserted-by":"publisher","first-page":"57","DOI":"10.1016\/j.comptc.2016.01.015","article-title":"Ab initio study of the low-lying electronic states of the C2\u2212 anion","volume":"1079","year":"2016","journal-title":"Comput. Theor. Chem."},{"key":"2026092307095705100_c24","doi-asserted-by":"publisher","first-page":"129","DOI":"10.1063\/1.455731","article-title":"Infrared spectroscopy of carbo-ions. IV. The A2\u03a0u-X2\u03a3g+ electronic transition of C2\u2212","volume":"89","year":"1988","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026092307095705100_c25","doi-asserted-by":"publisher","first-page":"540","DOI":"10.1098\/rspa.1960.0125","article-title":"The theory of scattering by a rigid rotator","volume":"256","year":"1960","journal-title":"Proc. R. Soc. London, Ser. A"},{"key":"2026092307095705100_c26","doi-asserted-by":"publisher","first-page":"821","DOI":"10.1016\/j.cpc.2008.07.017","article-title":"ASPIN: An all spin scattering code for atom-molecule rovibrationally inelastic cross sections","volume":"179","year":"2008","journal-title":"Comput. Phys. Commun."},{"key":"2026092307095705100_c27","doi-asserted-by":"publisher","first-page":"9","DOI":"10.1016\/j.cpc.2019.02.014","article-title":"MOLSCAT: A program for non-reactive quantum scattering calculations on atomic and molecular collisions","volume":"241","year":"2019","journal-title":"Comput. Phys. Commun."},{"key":"2026092307095705100_c28","article-title":"MOLSCAT: A program for non-reactive quantum scattering calculation on atomic and molecular collisions","year":"2019"},{"key":"2026092307095705100_c29","doi-asserted-by":"publisher","first-page":"144304","DOI":"10.1063\/1.5123218","article-title":"Modelling state-selective photodetachment in cold ion traps: Rotational state \u2018crowding\u2019 in small anions","volume":"151","year":"2019","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026092307095705100_c30","doi-asserted-by":"publisher","first-page":"116426","DOI":"10.1016\/j.ijms.2020.116426","article-title":"Thermalisation of C2\u2212 with noble gases in cold ion traps","volume":"457","year":"2020","journal-title":"Int. J. Mass Spectrom."},{"key":"2026092307095705100_c31","doi-asserted-by":"publisher","first-page":"133003","DOI":"10.1103\/PhysRevLett.131.133003","article-title":"Trapping and ground state cooling of a single H2+","volume":"131","year":"2023","journal-title":"Phys. Rev. Lett."}],"container-title":["The Journal of Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.aip.org\/aip\/jcp\/article-pdf\/doi\/10.1063\/5.0343750\/21148783\/124310_1_5.0343750.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/pubs.aip.org\/aip\/jcp\/article-pdf\/doi\/10.1063\/5.0343750\/21148783\/124310_1_5.0343750.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,9,23]],"date-time":"2026-09-23T11:10:24Z","timestamp":1790161824000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.aip.org\/jcp\/article\/165\/12\/124310\/3405080\/Beyond-rare-gases-Cooling-of-trapped-BN-ions-by-H2"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,9,23]]},"references-count":31,"journal-issue":{"issue":"12","published-print":{"date-parts":[[2026,9,28]]}},"URL":"https:\/\/doi.org\/10.1063\/5.0343750","relation":{},"ISSN":["0021-9606","1089-7690"],"issn-type":[{"value":"0021-9606","type":"print"},{"value":"1089-7690","type":"electronic"}],"subject":[],"published-other":{"date-parts":[[2026,9,28]]},"published":{"date-parts":[[2026,9,23]]},"article-number":"124310"}}