Properties of tetramethyleneethane (TME) as revealed by ion chemistry and ion photoelectron spectroscopy

Clifford, EP and Wenthold, PG and Lineberger, WC and Ellison, GB and Wang, CX and Grabowski, JJ and Vila, F and Jordan, KD (1998) Properties of tetramethyleneethane (TME) as revealed by ion chemistry and ion photoelectron spectroscopy. Journal of the Chemical Society. Perkin Transactions 2 (5). 1015 - 1022. ISSN 0300-9580

Plain Text (licence) Available under License : See the attached license file. Download (1kB)

Abstract

The negative ion chemistry and photoelectron spectra of[CH =C(CH )-C(CH ) ] and [(CH ) C-C(CH ) ] have been studied. The negative ion photoelectron spectra reveal the tetramethyleneethane diradical, TME, to have two low-lying electronic states, X̃ and ã. The ground X̃ state is assigned as [TME] A and the excited ã state as [TME] B . The energy separation between these states is about 2 kcal mol ; ΔE[ã 3B ← X̃ A] ≅ 0.1 eV. The experimental electron affinities of the neutrals are: E [CH =C(CH )-C(CH ) ] = 0.654 ± 0.010 eV and E [(CH ) C-C(CH ) ] = 0.855 ± 0.010 eV. The experimental gas phase acidities are: Δ H [CH =C(CH )-C(CH )CH -H] = 388 ± 3 kcal mol and Δ H [(CH ) C-C(CH )-CH -H] = 388 ± 4 kcal mol . These findings can be used to establish the bond energies and heats of formation: DH [CH =C(CH )-C(CH )CH -H] = 90 ± 3 kcal mol and Δ H [(CH ) C-C(CH )=CH ] = 48 ± 3 kcal mol ; DH [(CH ) C-C(CH )CH -H] = 94 ± 4 kcal mol and Δ H [(CH ) C-C(CH ) ] = 90 ± 5 kcal mol . 2 3 2 2 2 2 2 2 1 1 ea 2 3 2 2 ea 2 2 2 2 acid 298 2 3 2 2 acid 298 2 2 2 2 298 2 3 2 2 f 298 2 2 3 2 298 2 2 2 2 f 298 2 2 2 2 - - 1 3 -1 1 -1 -1 -1 -1 -1 -1

---

Share

Citation/Export:	Select format... Citation - Text Citation - HTML Endnote BibTex Dublin Core OpenURL MARC (ISO 2709) METS MODS EP3 XML Reference Manager Refer
Social Networking:	Share |

---

Details

Item Type:	Article
Status:	Published
Creators/Authors:	Creators Email Pitt Username ORCID Clifford, EP Wenthold, PG Lineberger, WC Ellison, GB Wang, CX Grabowski, JJ Vila, F Jordan, KD jordan@pitt.edu JORDAN
Date:	1 January 1998
Date Type:	Publication
Journal or Publication Title:	Journal of the Chemical Society. Perkin Transactions 2
Number:	5
Page Range:	1015 - 1022
DOI or Unique Handle:	10.1039/a707322d
Schools and Programs:	Dietrich School of Arts and Sciences > Chemistry
Refereed:	Yes
ISSN:	0300-9580
Date Deposited:	29 Mar 2013 15:46
Last Modified:	30 Mar 2021 12:55
URI:	http://d-scholarship.pitt.edu/id/eprint/17895

---

Metrics

Monthly Views for the past 3 years

Plum Analytics

Altmetric.com

---

Actions (login required)

View Item