Crystal Structure of Poly(7-heptalactone)

Anna Malafronte; Miriam Scoti; Maria Caputo; Bo Li; Rachel O'Reilly; Andrew Dove; Alejandro Müller; Claudio De Rosa

doi:10.1021/acs.macromol.3c00710

Crystal Structure of Poly(7-heptalactone)

Anna Malafronte^*, Miriam Scoti, Maria Caputo, Bo Li, Rachel O'Reilly, Andrew Dove, Alejandro Müller, Claudio De Rosa^*

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Article › peer-review

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Abstract

The crystal structure of poly(7-heptalactone) (PHL) is presented. PHL has been synthesized by a combination of ring-opening polymerization of η-heptalactone and reversible addition–fragmentation chain transfer polymerization using diphenyl phosphate as catalyst. The noncommercial available η-heptalactone monomer has been prepared by oxidation of cycloheptanone. The crystal structure of PHL has been determined by analysis of the X-ray powder diffraction profiles and of the electron diffraction patterns of single crystals and calculations of lattice energy. The structure has been refined with the Rietveld full-profile refinement. Chains in trans planar conformation are packed in an orthorhombic unit cell with axes a = 7.37 Å, b = 5.05 Å, and c = 10.07 Å according to the space group symmetry P21.

Original language	English
Pages (from-to)	4153-4162
Number of pages	10
Journal	Macromolecules
Volume	56
Issue number	11
Early online date	2 Jun 2023
DOIs	https://doi.org/10.1021/acs.macromol.3c00710
Publication status	Published - 13 Jun 2023

Bibliographical note

The task force “Polymers and Biopolymers” of the University of Napoli Federico II is acknowledged. Financial support from project 3A-Italy, MICS–PNRR MUR – M4C2 - I 1.3 (C) is gratefully acknowledged. A.J.M. acknowledges funding from the Basque Government through grant IT1503-22.

Keywords

aliphatic polyesters
poly(ε-caprolactone) (PCL)
X-ray powder diffraction
Electron diffraction pattern

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title = "Crystal Structure of Poly(7-heptalactone)",

abstract = "The crystal structure of poly(7-heptalactone) (PHL) is presented. PHL has been synthesized by a combination of ring-opening polymerization of η-heptalactone and reversible addition–fragmentation chain transfer polymerization using diphenyl phosphate as catalyst. The noncommercial available η-heptalactone monomer has been prepared by oxidation of cycloheptanone. The crystal structure of PHL has been determined by analysis of the X-ray powder diffraction profiles and of the electron diffraction patterns of single crystals and calculations of lattice energy. The structure has been refined with the Rietveld full-profile refinement. Chains in trans planar conformation are packed in an orthorhombic unit cell with axes a = 7.37 {\AA}, b = 5.05 {\AA}, and c = 10.07 {\AA} according to the space group symmetry P21.",

keywords = "aliphatic polyesters, poly(ε-caprolactone) (PCL), X-ray powder diffraction, Electron diffraction pattern",

author = "Anna Malafronte and Miriam Scoti and Maria Caputo and Bo Li and Rachel O'Reilly and Andrew Dove and Alejandro M{\"u}ller and {De Rosa}, Claudio",

note = "The task force “Polymers and Biopolymers” of the University of Napoli Federico II is acknowledged. Financial support from project 3A-Italy, MICS–PNRR MUR – M4C2 - I 1.3 (C) is gratefully acknowledged. A.J.M. acknowledges funding from the Basque Government through grant IT1503-22.",

year = "2023",

month = jun,

day = "13",

doi = "10.1021/acs.macromol.3c00710",

language = "English",

volume = "56",

pages = "4153--4162",

journal = "Macromolecules",

issn = "0024-9297",

publisher = "American Chemical Society",

number = "11",

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TY - JOUR

T1 - Crystal Structure of Poly(7-heptalactone)

AU - Malafronte, Anna

AU - Scoti, Miriam

AU - Caputo, Maria

AU - Li, Bo

AU - O'Reilly, Rachel

AU - Dove, Andrew

AU - Müller, Alejandro

AU - De Rosa, Claudio

N1 - The task force “Polymers and Biopolymers” of the University of Napoli Federico II is acknowledged. Financial support from project 3A-Italy, MICS–PNRR MUR – M4C2 - I 1.3 (C) is gratefully acknowledged. A.J.M. acknowledges funding from the Basque Government through grant IT1503-22.

PY - 2023/6/13

Y1 - 2023/6/13

N2 - The crystal structure of poly(7-heptalactone) (PHL) is presented. PHL has been synthesized by a combination of ring-opening polymerization of η-heptalactone and reversible addition–fragmentation chain transfer polymerization using diphenyl phosphate as catalyst. The noncommercial available η-heptalactone monomer has been prepared by oxidation of cycloheptanone. The crystal structure of PHL has been determined by analysis of the X-ray powder diffraction profiles and of the electron diffraction patterns of single crystals and calculations of lattice energy. The structure has been refined with the Rietveld full-profile refinement. Chains in trans planar conformation are packed in an orthorhombic unit cell with axes a = 7.37 Å, b = 5.05 Å, and c = 10.07 Å according to the space group symmetry P21.

AB - The crystal structure of poly(7-heptalactone) (PHL) is presented. PHL has been synthesized by a combination of ring-opening polymerization of η-heptalactone and reversible addition–fragmentation chain transfer polymerization using diphenyl phosphate as catalyst. The noncommercial available η-heptalactone monomer has been prepared by oxidation of cycloheptanone. The crystal structure of PHL has been determined by analysis of the X-ray powder diffraction profiles and of the electron diffraction patterns of single crystals and calculations of lattice energy. The structure has been refined with the Rietveld full-profile refinement. Chains in trans planar conformation are packed in an orthorhombic unit cell with axes a = 7.37 Å, b = 5.05 Å, and c = 10.07 Å according to the space group symmetry P21.

KW - aliphatic polyesters

KW - poly(ε-caprolactone) (PCL)

KW - X-ray powder diffraction

KW - Electron diffraction pattern

U2 - 10.1021/acs.macromol.3c00710

DO - 10.1021/acs.macromol.3c00710

M3 - Article

SN - 0024-9297

VL - 56

SP - 4153

EP - 4162

JO - Macromolecules

JF - Macromolecules

IS - 11

ER -

Crystal Structure of Poly(7-heptalactone)

Abstract

Bibliographical note

Keywords

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