Academic Journal
Thermochemistry of ReN and IrN: Bond dissociation energies of ReN+ and IrN+ and ionization energies of ReN and IrN.
| Title: | Thermochemistry of ReN and IrN: Bond dissociation energies of ReN+ and IrN+ and ionization energies of ReN and IrN. |
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| Authors: | Ewigleben, Joshua C.1, Kawagoe, Thomas T.1, Barrera-Casas, Yexalen1, Knapp, Annie S.1, Merriles, Dakota M.1, Morse, Michael D.1 morse@chem.utah.edu |
| Source: | Journal of Chemical Physics. 9/28/2026, Vol. 165 Issue 12, p1-9. 9p. |
| Subject Terms: | *Thermochemistry, *Ionization (Atomic physics), *Atomic physics, *Curve rectification & quadrature, *Carbon nanotubes |
| Abstract: | The bond dissociation energies (BDEs) of ReN+ and IrN+ have been measured using a newly constructed cryogenically cooled ion photodissociation spectrometer to be D0(Re+-N) = 40 615(100) cm−1 [5.036(12) eV] and D0(Ir+-N) = 37 825(75) cm−1 [4.690(9) eV]. The ionization energy (IE) of IrN was measured to be IE(IrN) = 75 490(300) cm−1 [9.360(37) eV] using resonant 2-photon ionization (R2PI) spectroscopy. The values of D0(Ir+-N) and IE(IrN), along with previous measurements of D0(IrN) and IE(Ir), were used to complete the thermochemical cycle D0(IrN) + IE(Ir) − IE(IrN) − D0(Ir+-N) = 0, obtaining 264 ± 311 cm−1 after propagating errors by quadrature. Because IE(IrN) is by far the least precise value in the cycle, a more precise value is obtained using the other measurements in the thermochemical cycle, giving IE(IrN) = 75 754(83) cm−1 or 9.392(10) eV. The corresponding thermochemical cycle for ReN initially did not agree, prompting a remeasurement that gave IE(ReN) = 68 276(40) cm−1 [8.465(5) eV]. The previous D0(ReN) measurement was also reassessed, giving D0(ReN) = 45 575(75) cm−1 [5.651(15) eV]. The corresponding cycle for ReN now gives −134 ± 131 cm−1. Predissociation-based measurements of BDEs necessarily provide upper limits only; there is always the possibility of a barrier to dissociation that could cause the measured values to be too high. The present results demonstrate that for molecules such as ReN and IrN, which have a high density of states at the ground separated atom limit, predissociation-based methods provide a highly accurate measurement of the BDE. [ABSTRACT FROM AUTHOR] |
| Database: | Academic Search Index |
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| Header | DbId: asx DbLabel: Academic Search Index An: 197519377 RelevancyScore: 1452 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 1452.42822265625 |
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| Items | – Name: Title Label: Title Group: Ti Data: Thermochemistry of ReN and IrN: Bond dissociation energies of ReN<superscript>+</superscript> and IrN<superscript>+</superscript> and ionization energies of ReN and IrN. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Ewigleben%2C+Joshua+C%2E%22">Ewigleben, Joshua C.</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Kawagoe%2C+Thomas+T%2E%22">Kawagoe, Thomas T.</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Barrera-Casas%2C+Yexalen%22">Barrera-Casas, Yexalen</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Knapp%2C+Annie+S%2E%22">Knapp, Annie S.</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Merriles%2C+Dakota+M%2E%22">Merriles, Dakota M.</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Morse%2C+Michael+D%2E%22">Morse, Michael D.</searchLink><relatesTo>1</relatesTo><i> morse@chem.utah.edu</i> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Journal+of+Chemical+Physics%22">Journal of Chemical Physics</searchLink>. 9/28/2026, Vol. 165 Issue 12, p1-9. 9p. – Name: Subject Label: Subject Terms Group: Su Data: *<searchLink fieldCode="DE" term="%22Thermochemistry%22">Thermochemistry</searchLink><br />*<searchLink fieldCode="DE" term="%22Ionization+%28Atomic+physics%29%22">Ionization (Atomic physics)</searchLink><br />*<searchLink fieldCode="DE" term="%22Atomic+physics%22">Atomic physics</searchLink><br />*<searchLink fieldCode="DE" term="%22Curve+rectification+%26+quadrature%22">Curve rectification & quadrature</searchLink><br />*<searchLink fieldCode="DE" term="%22Carbon+nanotubes%22">Carbon nanotubes</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: The bond dissociation energies (BDEs) of ReN+ and IrN+ have been measured using a newly constructed cryogenically cooled ion photodissociation spectrometer to be D0(Re+-N) = 40 615(100) cm−1 [5.036(12) eV] and D0(Ir+-N) = 37 825(75) cm−1 [4.690(9) eV]. The ionization energy (IE) of IrN was measured to be IE(IrN) = 75 490(300) cm−1 [9.360(37) eV] using resonant 2-photon ionization (R2PI) spectroscopy. The values of D0(Ir+-N) and IE(IrN), along with previous measurements of D0(IrN) and IE(Ir), were used to complete the thermochemical cycle D0(IrN) + IE(Ir) − IE(IrN) − D0(Ir+-N) = 0, obtaining 264 ± 311 cm−1 after propagating errors by quadrature. Because IE(IrN) is by far the least precise value in the cycle, a more precise value is obtained using the other measurements in the thermochemical cycle, giving IE(IrN) = 75 754(83) cm−1 or 9.392(10) eV. The corresponding thermochemical cycle for ReN initially did not agree, prompting a remeasurement that gave IE(ReN) = 68 276(40) cm−1 [8.465(5) eV]. The previous D0(ReN) measurement was also reassessed, giving D0(ReN) = 45 575(75) cm−1 [5.651(15) eV]. The corresponding cycle for ReN now gives −134 ± 131 cm−1. Predissociation-based measurements of BDEs necessarily provide upper limits only; there is always the possibility of a barrier to dissociation that could cause the measured values to be too high. The present results demonstrate that for molecules such as ReN and IrN, which have a high density of states at the ground separated atom limit, predissociation-based methods provide a highly accurate measurement of the BDE. [ABSTRACT FROM AUTHOR] |
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| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1063/5.0353710 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 9 StartPage: 1 Subjects: – SubjectFull: Thermochemistry Type: general – SubjectFull: Ionization (Atomic physics) Type: general – SubjectFull: Atomic physics Type: general – SubjectFull: Curve rectification & quadrature Type: general – SubjectFull: Carbon nanotubes Type: general Titles: – TitleFull: Thermochemistry of ReN and IrN: Bond dissociation energies of ReN+ and IrN+ and ionization energies of ReN and IrN. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Ewigleben, Joshua C. – PersonEntity: Name: NameFull: Kawagoe, Thomas T. – PersonEntity: Name: NameFull: Barrera-Casas, Yexalen – PersonEntity: Name: NameFull: Knapp, Annie S. – PersonEntity: Name: NameFull: Merriles, Dakota M. – PersonEntity: Name: NameFull: Morse, Michael D. IsPartOfRelationships: – BibEntity: Dates: – D: 28 M: 09 Text: 9/28/2026 Type: published Y: 2026 Identifiers: – Type: issn-print Value: 00219606 Numbering: – Type: volume Value: 165 – Type: issue Value: 12 Titles: – TitleFull: Journal of Chemical Physics Type: main |
| ResultId | 1 |