Polyethers. Structural analysis of the 1,4,5,8-tetraoxadecalins and 2,2'-bis(1,3-dioxolane) by photoelectron spectroscopy, molecular mechanics and molecular orbital calculations

Research output: Contribution to journal › Journal article › Research › peer-review

Standard

Polyethers. Structural analysis of the 1,4,5,8-tetraoxadecalins and 2,2'-bis(1,3-dioxolane) by photoelectron spectroscopy, molecular mechanics and molecular orbital calculations. / Jørgensen, Flemming S.; Nørskov-Lauritsen, Leif; Jensen, Roald Boe; Sshroll, Gustav.

In: Tetrahedron, Vol. 37, No. 21, 01.01.1981, p. 3671-3679.

Research output: Contribution to journal › Journal article › Research › peer-review

Harvard

Jørgensen, FS, Nørskov-Lauritsen, L, Jensen, RB & Sshroll, G 1981, 'Polyethers. Structural analysis of the 1,4,5,8-tetraoxadecalins and 2,2'-bis(1,3-dioxolane) by photoelectron spectroscopy, molecular mechanics and molecular orbital calculations', Tetrahedron, vol. 37, no. 21, pp. 3671-3679. https://doi.org/10.1016/S0040-4020(01)98897-0

APA

Jørgensen, F. S., Nørskov-Lauritsen, L., Jensen, R. B., & Sshroll, G. (1981). Polyethers. Structural analysis of the 1,4,5,8-tetraoxadecalins and 2,2'-bis(1,3-dioxolane) by photoelectron spectroscopy, molecular mechanics and molecular orbital calculations. Tetrahedron, 37(21), 3671-3679. https://doi.org/10.1016/S0040-4020(01)98897-0

Vancouver

Jørgensen FS, Nørskov-Lauritsen L, Jensen RB, Sshroll G. Polyethers. Structural analysis of the 1,4,5,8-tetraoxadecalins and 2,2'-bis(1,3-dioxolane) by photoelectron spectroscopy, molecular mechanics and molecular orbital calculations. Tetrahedron. 1981 Jan 1;37(21):3671-3679. https://doi.org/10.1016/S0040-4020(01)98897-0

Author

Jørgensen, Flemming S. ; Nørskov-Lauritsen, Leif ; Jensen, Roald Boe ; Sshroll, Gustav. / Polyethers. Structural analysis of the 1,4,5,8-tetraoxadecalins and 2,2'-bis(1,3-dioxolane) by photoelectron spectroscopy, molecular mechanics and molecular orbital calculations. In: Tetrahedron. 1981 ; Vol. 37, No. 21. pp. 3671-3679.

Bibtex

@article{f76305219d7a444e8404e188a4d55215,
title = "Polyethers. Structural analysis of the 1,4,5,8-tetraoxadecalins and 2,2'-bis(1,3-dioxolane) by photoelectron spectroscopy, molecular mechanics and molecular orbital calculations",
abstract = "The photoelectron (PE) spectrum of cis-1,4,5,8-tetraoxadecalin exhibits in contrast to most polyoxa compounds an extremely well resolved low energy pan due to large 'through-bond' interactions between the oxygen lone pairs and the ideally oriented C-C bonds. The 'through-bond' interactions of the cis- as well as the unknown trans-1,4,5,8-tetraoxadecalin are discussed based on simple perturbation molecular orbital theory and PRDDO molecular orbital calculations. Additionally the PE spectrum of 2,2'-bis (1,3-dioxolane) is reported. Molecular mechanics (MM1 and MM2) and molecular orbital (PRDDO) calculations of the different conformations of the 1,4,5,8-telraoxadecalin and 2,2'-bis(1,3-dioxolane) systems allow the absence of the trans-1, 4,5,8-tetraoxadecalin, and the cis-trans energy difference in the series decalin, 1,8-dioxadecalin and 1,4,5,8-tetraoxadecalin systems to be explained.",
author = "J{\o}rgensen, {Flemming S.} and Leif N{\o}rskov-Lauritsen and Jensen, {Roald Boe} and Gustav Sshroll",
year = "1981",
month = jan,
day = "1",
doi = "10.1016/S0040-4020(01)98897-0",
language = "English",
volume = "37",
pages = "3671--3679",
journal = "Tetrahedron",
issn = "0040-4020",
publisher = "Pergamon Press",
number = "21",

}

RIS

TY - JOUR

T1 - Polyethers. Structural analysis of the 1,4,5,8-tetraoxadecalins and 2,2'-bis(1,3-dioxolane) by photoelectron spectroscopy, molecular mechanics and molecular orbital calculations

AU - Jørgensen, Flemming S.

AU - Nørskov-Lauritsen, Leif

AU - Jensen, Roald Boe

AU - Sshroll, Gustav

PY - 1981/1/1

Y1 - 1981/1/1

N2 - The photoelectron (PE) spectrum of cis-1,4,5,8-tetraoxadecalin exhibits in contrast to most polyoxa compounds an extremely well resolved low energy pan due to large 'through-bond' interactions between the oxygen lone pairs and the ideally oriented C-C bonds. The 'through-bond' interactions of the cis- as well as the unknown trans-1,4,5,8-tetraoxadecalin are discussed based on simple perturbation molecular orbital theory and PRDDO molecular orbital calculations. Additionally the PE spectrum of 2,2'-bis (1,3-dioxolane) is reported. Molecular mechanics (MM1 and MM2) and molecular orbital (PRDDO) calculations of the different conformations of the 1,4,5,8-telraoxadecalin and 2,2'-bis(1,3-dioxolane) systems allow the absence of the trans-1, 4,5,8-tetraoxadecalin, and the cis-trans energy difference in the series decalin, 1,8-dioxadecalin and 1,4,5,8-tetraoxadecalin systems to be explained.

AB - The photoelectron (PE) spectrum of cis-1,4,5,8-tetraoxadecalin exhibits in contrast to most polyoxa compounds an extremely well resolved low energy pan due to large 'through-bond' interactions between the oxygen lone pairs and the ideally oriented C-C bonds. The 'through-bond' interactions of the cis- as well as the unknown trans-1,4,5,8-tetraoxadecalin are discussed based on simple perturbation molecular orbital theory and PRDDO molecular orbital calculations. Additionally the PE spectrum of 2,2'-bis (1,3-dioxolane) is reported. Molecular mechanics (MM1 and MM2) and molecular orbital (PRDDO) calculations of the different conformations of the 1,4,5,8-telraoxadecalin and 2,2'-bis(1,3-dioxolane) systems allow the absence of the trans-1, 4,5,8-tetraoxadecalin, and the cis-trans energy difference in the series decalin, 1,8-dioxadecalin and 1,4,5,8-tetraoxadecalin systems to be explained.

UR - http://www.scopus.com/inward/record.url?scp=0343672685&partnerID=8YFLogxK

U2 - 10.1016/S0040-4020(01)98897-0

DO - 10.1016/S0040-4020(01)98897-0

M3 - Journal article

AN - SCOPUS:0343672685

VL - 37

SP - 3671

EP - 3679

JO - Tetrahedron

JF - Tetrahedron

SN - 0040-4020

IS - 21

ER -

ID: 218714870