Collisional dynamics of NC_4_NH^+^ with H_2_J/MNRAS/546/F205ivo://CDS.VizieR/J/MNRAS/546/F2055CDSChahal P.Kumar T.J.D.2026-08-13T09:22:20Z2026-08-13T10:21:31ZCDS support team
CDS, Observatoire de Strasbourg, 11 rue de l'Universite, F-67000 Strasbourg, France
cds-question@unistra.fratomic-physicsinterstellar-mediumThe present work explores the quantum dynamics of protonated dicyanoacetylene (NC_4_NH^+^) in collision with both para- and ortho-H_2_ over the temperature range 1-100K. Such low-temperature collisions help determine the state-to-state rate coefficients for the rotational transitions of NC_4_NH^+^, a recently detected species in TMC-1. To study these collisions, a four-dimensional (4D) ab initio potential energy surface (PES) for the NC_4_NH^+^-H_2_ system was developed using the CCSD(T)-F12b method with an augmented triple-zeta basis set under the rigid-rotor approximation. The PES was then augmented through a neural network (NN) fitting approach to get the dense data. It was further expanded in bispherical harmonics, for the radial coefficients to be expressed in analytical form. Based on these radial coefficients, state-to-state cross sections and rate coefficients were calculated using the exact close-coupling method for the rotational states considering to both para- and ortho-H_2_.2026MNRAS.546f2055Chttps://cdsarc.cds.unistra.fr/viz-bin/cat/J/MNRAS/546/F2055CatalogResearchIsServedByTAP VizieR generic servicehttps://cds.unistra.fr/vizier-org/licences_vizier.htmlhttps://vizier.cds.unistra.fr/viz-bin/VizieR-2?-source=J/MNRAS/546/F2055https://vizier.iucaa.in/viz-bin/VizieR-2?-source=J/MNRAS/546/F2055http://vizieridia.saao.ac.za/viz-bin/VizieR-2?-source=J/MNRAS/546/F2055https://vizier.cds.unistra.fr/viz-bin/votable?-source=J/MNRAS/546/F2055https://vizier.iucaa.in/viz-bin/votable?-source=J/MNRAS/546/F2055http://vizieridia.saao.ac.za/viz-bin/votable?-source=J/MNRAS/546/F2055GETtext/xml+votablehttps://tapvizier.cds.unistra.fr/TAPVizieR/tapdefaultJ/MNRAS/546/F2055/pesPotential energy surface (PES) data for the collision of NC_4_NH^+^ with H_2_recnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintRDistance between the centre of mass of NC_4_NH^+^ and H_2_0.1nmphys.atmolfloatphiDihedral angle between the NC_4NH^+ molecule and H_2_degphys.atmolinttheta2Rotation of H_2_ moleculedegphys.atmolinttheta1Rotation of NC_4_NH^+^ moleculedegphys.atmolintEEnergy which is obtained as a result of NC_4_NH^+^ - H_2_ collisioncm**-1phys.energydouble
J/MNRAS/546/F2055/orthoRate coefficients for the collision of NC_4_NH^+^ with ortho - H_2_recnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintT[1/100] TemperatureKphys.temperatureintTr1-0Rate transition 1->0phys.atmol.transitiondoubleTr2-1Rate transition 2->1phys.atmol.transitiondoubleTr3-2Rate transition 3->2phys.atmol.transitiondoubleTr4-3Rate transition 4->3phys.atmol.transitiondoubleTr5-4Rate transition 5->4phys.atmol.transitiondoubleTr6-5Rate transition 6->5phys.atmol.transitiondoubleTr7-6Rate transition 7->6phys.atmol.transitiondoubleTr8-7Rate transition 8->7phys.atmol.transitiondoubleTr9-8Rate transition 9->8phys.atmol.transitiondoubleTr10-9Rate transition 10->9phys.atmol.transitiondoubleTr11-10Rate transition 11->10phys.atmol.transitiondoubleTr12-11Rate transition 12->11phys.atmol.transitiondoubleTr13-12Rate transition 13->12phys.atmol.transitiondoubleTr14-13Rate transition 14->13phys.atmol.transitiondoubleTr15-14Rate transition 15->14phys.atmol.transitiondoubleTr16-15Rate transition 16->15phys.atmol.transitiondoubleTr17-16Rate transition 17->16phys.atmol.transitiondoubleTr18-17Rate transition 18->17phys.atmol.transitiondoubleTr19-18Rate transition 19->18phys.atmol.transitiondoubleTr2-0Rate transition 2->0phys.atmol.transitiondoubleTr3-1Rate transition 3->1phys.atmol.transitiondoubleTr4-2Rate transition 4->2phys.atmol.transitiondoubleTr5-3Rate transition 5->3phys.atmol.transitiondoubleTr6-4Rate transition 6->4phys.atmol.transitiondoubleTr7-5Rate transition 7->5phys.atmol.transitiondoubleTr8-6Rate transition 8->6phys.atmol.transitiondoubleTr9-7Rate transition 9->7phys.atmol.transitiondoubleTr10-8Rate transition 10->8phys.atmol.transitiondoubleTr11-9Rate transition 11->9phys.atmol.transitiondoubleTr12-10Rate transition 12->10phys.atmol.transitiondoubleTr13-11Rate transition 13->11phys.atmol.transitiondoubleTr14-12Rate transition 14->12phys.atmol.transitiondoubleTr15-13Rate transition 15->13phys.atmol.transitiondoubleTr16-14Rate transition 16->14phys.atmol.transitiondoubleTr17-15Rate transition 17->15phys.atmol.transitiondoubleTr18-16Rate transition 18->16phys.atmol.transitiondoubleTr19-17Rate transition 19->17phys.atmol.transitiondouble
J/MNRAS/546/F2055/paraRate coefficients for the collision of NC_4_NH^^+ with para - H_2_recnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintT[1/100] TemperatureKphys.temperatureintTr1-0Rate transition 1->0phys.atmol.transitiondoubleTr2-1Rate transition 2->1phys.atmol.transitiondoubleTr3-2Rate transition 3->2phys.atmol.transitiondoubleTr4-3Rate transition 4->3phys.atmol.transitiondoubleTr5-4Rate transition 5->4phys.atmol.transitiondoubleTr6-5Rate transition 6->5phys.atmol.transitiondoubleTr7-6Rate transition 7->6phys.atmol.transitiondoubleTr8-7Rate transition 8->7phys.atmol.transitiondoubleTr9-8Rate transition 9->8phys.atmol.transitiondoubleTr10-9Rate transition 10->9phys.atmol.transitiondoubleTr11-10Rate transition 11->10phys.atmol.transitiondoubleTr12-11Rate transition 12->11phys.atmol.transitiondoubleTr13-12Rate transition 13->12phys.atmol.transitiondoubleTr14-13Rate transition 14->13phys.atmol.transitiondoubleTr15-14Rate transition 15->14phys.atmol.transitiondoubleTr16-15Rate transition 16->15phys.atmol.transitiondoubleTr17-16Rate transition 17->16phys.atmol.transitiondoubleTr18-17Rate transition 18->17phys.atmol.transitiondoubleTr19-18Rate transition 19->18phys.atmol.transitiondoubleTr2-0Rate transition 2->0phys.atmol.transitiondoubleTr3-1Rate transition 3->1phys.atmol.transitiondoubleTr4-2Rate transition 4->2phys.atmol.transitiondoubleTr5-3Rate transition 5->3phys.atmol.transitiondoubleTr6-4Rate transition 6->4phys.atmol.transitiondoubleTr7-5Rate transition 7->5phys.atmol.transitiondoubleTr8-6Rate transition 8->6phys.atmol.transitiondoubleTr9-7Rate transition 9->7phys.atmol.transitiondoubleTr10-8Rate transition 10->8phys.atmol.transitiondoubleTr11-9Rate transition 11->9phys.atmol.transitiondoubleTr12-10Rate transition 12->10phys.atmol.transitiondoubleTr13-11Rate transition 13->11phys.atmol.transitiondoubleTr14-12Rate transition 14->12phys.atmol.transitiondoubleTr15-13Rate transition 15->13phys.atmol.transitiondoubleTr16-14Rate transition 16->14phys.atmol.transitiondoubleTr17-15Rate transition 17->15phys.atmol.transitiondoubleTr18-16Rate transition 18->16phys.atmol.transitiondoubleTr19-17Rate transition 19->17phys.atmol.transitiondouble