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Formation of a “Hollow” Interior in the Fourth-Generation Dendrimer with Attached Oligomeric Terminal Segments. / Markelov, D.A.; Polotsky, A.A.; Birshtein, T.M.

In: Journal of Physical Chemistry B, Vol. 118, No. 51, 2014, p. 14961-14971.

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Markelov, D.A. ; Polotsky, A.A. ; Birshtein, T.M. / Formation of a “Hollow” Interior in the Fourth-Generation Dendrimer with Attached Oligomeric Terminal Segments. In: Journal of Physical Chemistry B. 2014 ; Vol. 118, No. 51. pp. 14961-14971.

BibTeX

@article{5f27aa0aa0bf4e29b77f0fdfdd2c0b12,
title = "Formation of a “Hollow” Interior in the Fourth-Generation Dendrimer with Attached Oligomeric Terminal Segments",
abstract = "By using the Scheutjens−Fleer self-consistent field approach, the structure of the fourth-generation dendrimer with attached terminal chemically different oligomeric segments is studied theoretically. It is demonstrated that an incompatibility of terminal segments with inner dendrimer units leads to formation of a “hollow” core with reduced polymer density in the dendrimer center. This effect is enhanced with a deterioration in the solvent quality for terminal segments. This observation is in accordance with experimental results and molecular dynamics simulation data for an analogous system. It is established that the main factor determining the hollow core formation is the segregation between inner and terminal units because the main driving force for the effect is the localization of the terminal segments at the dendrimer periphery. The influence of structural parameters of dendrimer such as the number of generations and length of the terminal chain on this effect is also studied.",
author = "D.A. Markelov and A.A. Polotsky and T.M. Birshtein",
year = "2014",
doi = "10.1021/jp509151w",
language = "English",
volume = "118",
pages = "14961--14971",
journal = "Journal of Physical Chemistry B",
issn = "1520-6106",
publisher = "American Chemical Society",
number = "51",

}

RIS

TY - JOUR

T1 - Formation of a “Hollow” Interior in the Fourth-Generation Dendrimer with Attached Oligomeric Terminal Segments

AU - Markelov, D.A.

AU - Polotsky, A.A.

AU - Birshtein, T.M.

PY - 2014

Y1 - 2014

N2 - By using the Scheutjens−Fleer self-consistent field approach, the structure of the fourth-generation dendrimer with attached terminal chemically different oligomeric segments is studied theoretically. It is demonstrated that an incompatibility of terminal segments with inner dendrimer units leads to formation of a “hollow” core with reduced polymer density in the dendrimer center. This effect is enhanced with a deterioration in the solvent quality for terminal segments. This observation is in accordance with experimental results and molecular dynamics simulation data for an analogous system. It is established that the main factor determining the hollow core formation is the segregation between inner and terminal units because the main driving force for the effect is the localization of the terminal segments at the dendrimer periphery. The influence of structural parameters of dendrimer such as the number of generations and length of the terminal chain on this effect is also studied.

AB - By using the Scheutjens−Fleer self-consistent field approach, the structure of the fourth-generation dendrimer with attached terminal chemically different oligomeric segments is studied theoretically. It is demonstrated that an incompatibility of terminal segments with inner dendrimer units leads to formation of a “hollow” core with reduced polymer density in the dendrimer center. This effect is enhanced with a deterioration in the solvent quality for terminal segments. This observation is in accordance with experimental results and molecular dynamics simulation data for an analogous system. It is established that the main factor determining the hollow core formation is the segregation between inner and terminal units because the main driving force for the effect is the localization of the terminal segments at the dendrimer periphery. The influence of structural parameters of dendrimer such as the number of generations and length of the terminal chain on this effect is also studied.

U2 - 10.1021/jp509151w

DO - 10.1021/jp509151w

M3 - Article

VL - 118

SP - 14961

EP - 14971

JO - Journal of Physical Chemistry B

JF - Journal of Physical Chemistry B

SN - 1520-6106

IS - 51

ER -

ID: 7036912