Hyperbranched polyesters: Synthesis, characterization, and molecular simulations

Kishore K. Jena; K. V.S.N. Raju; B. Prathab; Tejraj M. Aminabhavi

doi:10.1021/jp070513t

Hyperbranched polyesters: Synthesis, characterization, and molecular simulations

Kishore K. Jena, K. V.S.N. Raju, B. Prathab, Tejraj M. Aminabhavi

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

70 Scopus citations

Abstract

New types of hyperbranched polyesters were synthesized by the reaction of 2,2-bis(hydroxymethyl) propionic acid as an AB₂-type monomer with pentaerydiritol, trimemylol propane, or glycerol as the core moiety. The obtained globular networks were characterized by NMR and MALDI-TOF specttoscopic techniques. Molecular weights determined by MALDI-TOF were confirmed by gel permeation chromatography. Fourier transform infrared (FTIR) spectroscopy was used for the quantitative evaluation of hydrogen bonding as well as to study the structure-property relationship. To investigate the changes and types of intermolecular H-bonding interactions in hyperbranched polyesters with a variation in molecular structure, the deconvolution of FTIR spectra was carried out using Origin 6.0 software through the Gaussian curve-fitting method. Molecular simulations were performed through molecular mechanics and molecular dynamics (MD) calculations using the DISCOVER module. Cohesive energy density, solubility parameters, and surface properties of the hyperbranched polyesters were calculated. Further, vibrational analysis was computed using MD simulations for all the hyperbranched polyesters developed in this work.

Original language	British English
Pages (from-to)	8801-8811
Number of pages	11
Journal	Journal of Physical Chemistry B
Volume	111
Issue number	30
DOIs	https://doi.org/10.1021/jp070513t
State	Published - 2 Aug 2007

Access to Document

10.1021/jp070513t

Cite this

@article{15e8817701d64094a9ea8da2fc164368,

title = "Hyperbranched polyesters: Synthesis, characterization, and molecular simulations",

abstract = "New types of hyperbranched polyesters were synthesized by the reaction of 2,2-bis(hydroxymethyl) propionic acid as an AB2-type monomer with pentaerydiritol, trimemylol propane, or glycerol as the core moiety. The obtained globular networks were characterized by NMR and MALDI-TOF specttoscopic techniques. Molecular weights determined by MALDI-TOF were confirmed by gel permeation chromatography. Fourier transform infrared (FTIR) spectroscopy was used for the quantitative evaluation of hydrogen bonding as well as to study the structure-property relationship. To investigate the changes and types of intermolecular H-bonding interactions in hyperbranched polyesters with a variation in molecular structure, the deconvolution of FTIR spectra was carried out using Origin 6.0 software through the Gaussian curve-fitting method. Molecular simulations were performed through molecular mechanics and molecular dynamics (MD) calculations using the DISCOVER module. Cohesive energy density, solubility parameters, and surface properties of the hyperbranched polyesters were calculated. Further, vibrational analysis was computed using MD simulations for all the hyperbranched polyesters developed in this work.",

author = "Jena, {Kishore K.} and Raju, {K. V.S.N.} and B. Prathab and Aminabhavi, {Tejraj M.}",

year = "2007",

month = aug,

day = "2",

doi = "10.1021/jp070513t",

language = "British English",

volume = "111",

pages = "8801--8811",

journal = "Journal of Physical Chemistry B",

issn = "1520-6106",

publisher = "American Chemical Society",

number = "30",

}

TY - JOUR

T1 - Hyperbranched polyesters

T2 - Synthesis, characterization, and molecular simulations

AU - Jena, Kishore K.

AU - Raju, K. V.S.N.

AU - Prathab, B.

AU - Aminabhavi, Tejraj M.

PY - 2007/8/2

Y1 - 2007/8/2

N2 - New types of hyperbranched polyesters were synthesized by the reaction of 2,2-bis(hydroxymethyl) propionic acid as an AB2-type monomer with pentaerydiritol, trimemylol propane, or glycerol as the core moiety. The obtained globular networks were characterized by NMR and MALDI-TOF specttoscopic techniques. Molecular weights determined by MALDI-TOF were confirmed by gel permeation chromatography. Fourier transform infrared (FTIR) spectroscopy was used for the quantitative evaluation of hydrogen bonding as well as to study the structure-property relationship. To investigate the changes and types of intermolecular H-bonding interactions in hyperbranched polyesters with a variation in molecular structure, the deconvolution of FTIR spectra was carried out using Origin 6.0 software through the Gaussian curve-fitting method. Molecular simulations were performed through molecular mechanics and molecular dynamics (MD) calculations using the DISCOVER module. Cohesive energy density, solubility parameters, and surface properties of the hyperbranched polyesters were calculated. Further, vibrational analysis was computed using MD simulations for all the hyperbranched polyesters developed in this work.

AB - New types of hyperbranched polyesters were synthesized by the reaction of 2,2-bis(hydroxymethyl) propionic acid as an AB2-type monomer with pentaerydiritol, trimemylol propane, or glycerol as the core moiety. The obtained globular networks were characterized by NMR and MALDI-TOF specttoscopic techniques. Molecular weights determined by MALDI-TOF were confirmed by gel permeation chromatography. Fourier transform infrared (FTIR) spectroscopy was used for the quantitative evaluation of hydrogen bonding as well as to study the structure-property relationship. To investigate the changes and types of intermolecular H-bonding interactions in hyperbranched polyesters with a variation in molecular structure, the deconvolution of FTIR spectra was carried out using Origin 6.0 software through the Gaussian curve-fitting method. Molecular simulations were performed through molecular mechanics and molecular dynamics (MD) calculations using the DISCOVER module. Cohesive energy density, solubility parameters, and surface properties of the hyperbranched polyesters were calculated. Further, vibrational analysis was computed using MD simulations for all the hyperbranched polyesters developed in this work.

UR - http://www.scopus.com/inward/record.url?scp=34548241244&partnerID=8YFLogxK

U2 - 10.1021/jp070513t

DO - 10.1021/jp070513t

M3 - Article

AN - SCOPUS:34548241244

SN - 1520-6106

VL - 111

SP - 8801

EP - 8811

JO - Journal of Physical Chemistry B

JF - Journal of Physical Chemistry B

IS - 30

ER -

Hyperbranched polyesters: Synthesis, characterization, and molecular simulations

Abstract

Access to Document

Other files and links

Fingerprint

Cite this