Publication Data for: Regio‐ and Stereospecific Cyclopolymerization of α,ω‐Diynes by Cationic Molybdenum Imido Alkylidene N‐Heterocyclic Carbene Complexes (ICPSR doi:10.18419/darus-1691)

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Part 1: Document Description
Part 2: Study Description
Part 3: Data Files Description
Part 4: Variable Description
Part 5: Other Study-Related Materials
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Document Description

Citation

Title:

Publication Data for: Regio‐ and Stereospecific Cyclopolymerization of α,ω‐Diynes by Cationic Molybdenum Imido Alkylidene N‐Heterocyclic Carbene Complexes

Identification Number:

doi:10.18419/darus-1691

Distributor:

DaRUS

Date of Distribution:

2021-04-30

Version:

1

Bibliographic Citation:

Probst, Patrick; Elser, Iris; Schowner, Roman; Benedikter, Mathis; Buchmeiser, Michael, 2021, "Publication Data for: Regio‐ and Stereospecific Cyclopolymerization of α,ω‐Diynes by Cationic Molybdenum Imido Alkylidene N‐Heterocyclic Carbene Complexes", https://doi.org/10.18419/darus-1691, DaRUS, V1, UNF:6:BwlHr5q1geHqOx5CFuqWLA== [fileUNF]

Study Description

Citation

Title:

Publication Data for: Regio‐ and Stereospecific Cyclopolymerization of α,ω‐Diynes by Cationic Molybdenum Imido Alkylidene N‐Heterocyclic Carbene Complexes

Identification Number:

doi:10.18419/darus-1691

Authoring Entity:

Probst, Patrick (Universität Stuttgart)

Elser, Iris (Universität Stuttgart)

Schowner, Roman (Universität Stuttgart)

Benedikter, Mathis (Universität Stuttgart)

Buchmeiser, Michael (Universität Stuttgart)

Grant Number:

358283783 - SFB 1333

Grant Number:

BU 2174/19-1

Distributor:

DaRUS

Access Authority:

Buchmeiser, Michael

Depositor:

Probst, Patrick

Date of Deposit:

2021-03-11

Study Scope

Keywords:

Chemistry, catalysts, cyclopolymerization, metathesis, molybdenum, regioselectivity

Topic Classification:

inorganic chemistry

Abstract:

All primary data files and processed data of the journal article from Buchmeiser group. Spectroscopic data of the different polymers is put into folders for each polymer, data of table 1 is given as excel sheet, and an overview of the different catalysts as .tif image is attatched.

Notes:

Abstract: Both solvent‐free and acetonitrile‐containing cationic molybdenum imido alkylidene N‐heterocyclic carbene (NHC) complexes of the general formula [Mo(NR′)(CHCMe2R)(NHC)(X)+ A−] (R′ = 2,6‐Cl2‐C6H3, tBu, 2‐CF3‐C6H4, 2‐tBu‐C6H4, 2,6‐iPr2‐C6H3, 2,6‐Me2‐C6H3; R = Me, Ph; NHC = 1,3‐dimesitylimidazol‐2‐ylidene (IMes), 1,3‐di‐iPr‐imidazol‐2‐ylidene (IPr), 1,3,5‐triphenyl‐1,3,4‐triazol‐2‐ylidene); X = CF3SO3, C6F5O, OCH(CF3)2, OC(CF3)3, pyrrolide, C6F5COO, 2,6‐(CF3)2‐C6H3COO; A− = B(ArF)4−, Al(OC(CF3)3)4−), have been investigated for their propensity to cyclopolymerize 4,4‐disubstituted 1,6‐heptadiynes. All metal complexes contain a stereogenic (chiral) metal center, which accounts for the high reactivity and high regioselectivity of insertion (>99%) that are observed for all metal complexes, leading to highly conjugated, α‐insertion‐derived polyenes that are based on a highly regular polymer backbone and that show absorption maxima close to 600 nm. With the chiral monomer 4‐(ethoxycarbonyl)‐4‐(1S,2R,5S)‐(‐)‐menthoxycarbonyl‐1,6‐heptadiyne, high syndiospecifity (>99% syndiotactic) is observed. A mechanism explaining the high regio‐ and stereoselectivity is presented. Thus, α‐addition of the monomers proceeds chain‐end‐controlled trans to the NHC and is preferred over β‐addition through intramolecular Mo‐O chelation. Insertion of the monomers entails double inversion at the stereogenic metal center in the course of one complete monomer insertion.

Methodology and Processing

Sources Statement

Data Access

Notes:

CC BY Waiver

Other Study Description Materials

Related Publications

Citation

Identification Number:

10.1002/marc.201900398

Bibliographic Citation:

Probst, P., Elser, I., Schowner, R., Benedikter, M. J., Buchmeiser, M. R., Regio‐ and Stereospecific Cyclopolymerization of α,ω‐Diynes by Cationic Molybdenum Imido Alkylidene N‐Heterocyclic Carbene Complexes. Macromol. Rapid Commun. 2020, 41, 1900398

File Description--f58787

File: Table1.tab

  • Number of cases: 13

  • No. of variables per record: 4

  • Type of File: text/tab-separated-values

Notes:

UNF:6:BwlHr5q1geHqOx5CFuqWLA==

Variable Description

List of Variables:

Variables

Catalyst

f58787 Location:

Variable Format: character

Notes: UNF:6:rqThUtnSy6Z/20vrs0vSxw==

a-Insertion rate [%]

f58787 Location:

Variable Format: character

Notes: UNF:6:OeTQS2XEq5+HARLL98jSVw==

D_M

f58787 Location:

Summary Statistics: Mean 1.8615384615384616; Min. 1.4; Valid 13.0; Max. 3.1; StDev 0.5530799543442485;

Variable Format: numeric

Notes: UNF:6:QhH5tZcSokG3iD/T553fyA==

M_n [g/mol]

f58787 Location:

Summary Statistics: Mean 23784.615384615387; Min. 7200.0; StDev 30218.119458195004; Max. 116000.0; Valid 13.0;

Variable Format: numeric

Notes: UNF:6:DIN6gOrL/hANd5/Y3B895Q==

Other Study-Related Materials

Label:

Catalysts Mo1 to Mo11.tif

Notes:

image/tiff

Other Study-Related Materials

Label:

Poly(4,4-Bis(3,5-diethoxyphenylcarbonyloxymethyl)-1,6-heptadiyne) by Mo 1.zip

Notes:

application/zip

Other Study-Related Materials

Label:

Poly(4-Ethoxycarbonyl-4-(1S,2R,5S)-(-)-mehtoxycarbonyl-1,6-heptadiyne) by Mo 1.zip

Notes:

application/zip

Other Study-Related Materials

Label:

Poly(DEDPM) by Mo10.zip

Notes:

application/zip

Other Study-Related Materials

Label:

Poly(DEDPM) by Mo11.zip

Notes:

application/zip

Other Study-Related Materials

Label:

Poly(DEDPM) by Mo1.zip

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application/zip

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Poly(DEDPM) by Mo2.zip

Notes:

application/zip

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Label:

Poly(DEDPM) by Mo3.zip

Notes:

application/zip

Other Study-Related Materials

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Poly(DEDPM) by Mo4.zip

Notes:

application/zip

Other Study-Related Materials

Label:

Poly(DEDPM) by Mo5.zip

Notes:

application/zip

Other Study-Related Materials

Label:

Poly(DEDPM) by Mo6.zip

Notes:

application/zip

Other Study-Related Materials

Label:

Poly(DEDPM) by Mo7.zip

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application/zip

Other Study-Related Materials

Label:

Poly(DEDPM) by Mo8.zip

Notes:

application/zip

Other Study-Related Materials

Label:

Poly(DEDPM) by Mo9.zip

Notes:

application/zip

Other Study-Related Materials

Label:

Table 1.xlsx

Notes:

application/vnd.openxmlformats-officedocument.spreadsheetml.sheet