Crystal and Molecular Structure of Di- tert-adamantyl Disulfide. Extension of the Correlation between the Sulfur-Sulfur Dihedral Angle and the Sulfur Lone-Pair Energy Gap

Research output: Contribution to journalJournal articleResearchpeer-review

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Crystal and Molecular Structure of Di- tert-adamantyl Disulfide. Extension of the Correlation between the Sulfur-Sulfur Dihedral Angle and the Sulfur Lone-Pair Energy Gap. / Rindorf, Grethe; Jorgensen, Flemming S.; Snyder, James P.

In: Journal of Organic Chemistry, Vol. 45, No. 26, 01.01.1980, p. 5343-5347.

Research output: Contribution to journalJournal articleResearchpeer-review

Harvard

Rindorf, G, Jorgensen, FS & Snyder, JP 1980, 'Crystal and Molecular Structure of Di- tert-adamantyl Disulfide. Extension of the Correlation between the Sulfur-Sulfur Dihedral Angle and the Sulfur Lone-Pair Energy Gap', Journal of Organic Chemistry, vol. 45, no. 26, pp. 5343-5347. https://doi.org/10.1021/jo01314a027

APA

Rindorf, G., Jorgensen, F. S., & Snyder, J. P. (1980). Crystal and Molecular Structure of Di- tert-adamantyl Disulfide. Extension of the Correlation between the Sulfur-Sulfur Dihedral Angle and the Sulfur Lone-Pair Energy Gap. Journal of Organic Chemistry, 45(26), 5343-5347. https://doi.org/10.1021/jo01314a027

Vancouver

Rindorf G, Jorgensen FS, Snyder JP. Crystal and Molecular Structure of Di- tert-adamantyl Disulfide. Extension of the Correlation between the Sulfur-Sulfur Dihedral Angle and the Sulfur Lone-Pair Energy Gap. Journal of Organic Chemistry. 1980 Jan 1;45(26):5343-5347. https://doi.org/10.1021/jo01314a027

Author

Rindorf, Grethe ; Jorgensen, Flemming S. ; Snyder, James P. / Crystal and Molecular Structure of Di- tert-adamantyl Disulfide. Extension of the Correlation between the Sulfur-Sulfur Dihedral Angle and the Sulfur Lone-Pair Energy Gap. In: Journal of Organic Chemistry. 1980 ; Vol. 45, No. 26. pp. 5343-5347.

Bibtex

@article{62417c6d22cf4d7a9acd1b3579b12b1b,
title = "Crystal and Molecular Structure of Di- tert-adamantyl Disulfide. Extension of the Correlation between the Sulfur-Sulfur Dihedral Angle and the Sulfur Lone-Pair Energy Gap",
abstract = "The crystal and molecular structure of di-tert-adamantyl disulfide (1, DAD; C20H30S2) has been determined from diffractometer data. The unit cell is monoclinic: space group P21/c; a = 12.015 (3), b = 11.556 (3), c = 12.959 (3) {\AA}; β = 90.42 (2)°; V = 1799 {\AA}3; Z = 4; = 1.24 Mg/m-3. Least-squares refinements gave R = 0.074 for 649 observed reflections. The torsion angle θ(CSSC) = 110.5 (9)°. The observation of an enlarged S-S dihedral angle permits a tentative extension of the correlation between 0(CSSC) and the photoelectron spectroscopically determined ionization energy difference, ∆E(n+-n-), and disulfide torsional angles above 90°. The molecular geometry of t-Bu-SS-t-Bu is revised accordingly.",
author = "Grethe Rindorf and Jorgensen, {Flemming S.} and Snyder, {James P.}",
year = "1980",
month = "1",
day = "1",
doi = "10.1021/jo01314a027",
language = "English",
volume = "45",
pages = "5343--5347",
journal = "Journal of Organic Chemistry",
issn = "0022-3263",
publisher = "American Chemical Society",
number = "26",

}

RIS

TY - JOUR

T1 - Crystal and Molecular Structure of Di- tert-adamantyl Disulfide. Extension of the Correlation between the Sulfur-Sulfur Dihedral Angle and the Sulfur Lone-Pair Energy Gap

AU - Rindorf, Grethe

AU - Jorgensen, Flemming S.

AU - Snyder, James P.

PY - 1980/1/1

Y1 - 1980/1/1

N2 - The crystal and molecular structure of di-tert-adamantyl disulfide (1, DAD; C20H30S2) has been determined from diffractometer data. The unit cell is monoclinic: space group P21/c; a = 12.015 (3), b = 11.556 (3), c = 12.959 (3) Å; β = 90.42 (2)°; V = 1799 Å3; Z = 4; = 1.24 Mg/m-3. Least-squares refinements gave R = 0.074 for 649 observed reflections. The torsion angle θ(CSSC) = 110.5 (9)°. The observation of an enlarged S-S dihedral angle permits a tentative extension of the correlation between 0(CSSC) and the photoelectron spectroscopically determined ionization energy difference, ∆E(n+-n-), and disulfide torsional angles above 90°. The molecular geometry of t-Bu-SS-t-Bu is revised accordingly.

AB - The crystal and molecular structure of di-tert-adamantyl disulfide (1, DAD; C20H30S2) has been determined from diffractometer data. The unit cell is monoclinic: space group P21/c; a = 12.015 (3), b = 11.556 (3), c = 12.959 (3) Å; β = 90.42 (2)°; V = 1799 Å3; Z = 4; = 1.24 Mg/m-3. Least-squares refinements gave R = 0.074 for 649 observed reflections. The torsion angle θ(CSSC) = 110.5 (9)°. The observation of an enlarged S-S dihedral angle permits a tentative extension of the correlation between 0(CSSC) and the photoelectron spectroscopically determined ionization energy difference, ∆E(n+-n-), and disulfide torsional angles above 90°. The molecular geometry of t-Bu-SS-t-Bu is revised accordingly.

UR - http://www.scopus.com/inward/record.url?scp=0006032229&partnerID=8YFLogxK

U2 - 10.1021/jo01314a027

DO - 10.1021/jo01314a027

M3 - Journal article

AN - SCOPUS:0006032229

VL - 45

SP - 5343

EP - 5347

JO - Journal of Organic Chemistry

JF - Journal of Organic Chemistry

SN - 0022-3263

IS - 26

ER -

ID: 218715400