Direct access to polyisocyanide screw sense using vibrational circular dichroism

Erik Schwartz; E. Schwartz; Sergio R. Domingos; Alexander Vdovin; Matthieu Koepf; Jeroen Johannes Lambertus Maria Cornelissen; Wybren Jan Buma; Alan E. Rowan; Roeland J.M. Nolte; Sander Woutersen

doi:10.1021/ma101601e

Direct access to polyisocyanide screw sense using vibrational circular dichroism

Erik Schwartz, E. Schwartz, Sergio R. Domingos, Alexander Vdovin, Matthieu Koepf, Jeroen Johannes Lambertus Maria Cornelissen, Wybren Jan Buma, Alan E. Rowan, Roeland J.M. Nolte, Sander Woutersen

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

31 Citations (Scopus)

Abstract

We show that the screw sense of polyisocyanide helices can be determined in a simple manner from the vibrational circular dichroism (VCD) of their CN-stretching mode. The relation between VCD and molecular structure is obtained using the coupled-oscillator approximation. It is shown that since the C═N groups point approximately radially outward from the helical axis, the CN-stretch region of the VCD spectrum of a polyisocyanide helix consists of a single couplet, the sign of which is directly related to the screw sense of the helix. We use this method to determine the screw sense of poly(R)-2-isocyanooctane and poly(S)-2-isocyanooctane from their VCD spectrum.

Original language	English
Pages (from-to)	7931-7935
Number of pages	4
Journal	Macromolecules
Volume	43
Issue number	19
DOIs	https://doi.org/10.1021/ma101601e
Publication status	Published - 2010

Keywords

IR-74121
METIS-273728

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10.1021/ma101601e

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@article{a44195afbfa1448e820bfd496c74b078,

title = "Direct access to polyisocyanide screw sense using vibrational circular dichroism",

abstract = "We show that the screw sense of polyisocyanide helices can be determined in a simple manner from the vibrational circular dichroism (VCD) of their CN-stretching mode. The relation between VCD and molecular structure is obtained using the coupled-oscillator approximation. It is shown that since the C═N groups point approximately radially outward from the helical axis, the CN-stretch region of the VCD spectrum of a polyisocyanide helix consists of a single couplet, the sign of which is directly related to the screw sense of the helix. We use this method to determine the screw sense of poly(R)-2-isocyanooctane and poly(S)-2-isocyanooctane from their VCD spectrum.",

keywords = "IR-74121, METIS-273728",

author = "Erik Schwartz and E. Schwartz and Domingos, {Sergio R.} and Alexander Vdovin and Matthieu Koepf and Cornelissen, {Jeroen Johannes Lambertus Maria} and Buma, {Wybren Jan} and Rowan, {Alan E.} and Nolte, {Roeland J.M.} and Sander Woutersen",

year = "2010",

doi = "10.1021/ma101601e",

language = "English",

volume = "43",

pages = "7931--7935",

journal = "Macromolecules",

issn = "0024-9297",

publisher = "American Chemical Society",

number = "19",

}

Direct access to polyisocyanide screw sense using vibrational circular dichroism. / Schwartz, Erik; Schwartz, E.; Domingos, Sergio R.; Vdovin, Alexander; Koepf, Matthieu; Cornelissen, Jeroen Johannes Lambertus Maria; Buma, Wybren Jan; Rowan, Alan E.; Nolte, Roeland J.M.; Woutersen, Sander.

In: Macromolecules, Vol. 43, No. 19, 2010, p. 7931-7935.

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

TY - JOUR

T1 - Direct access to polyisocyanide screw sense using vibrational circular dichroism

AU - Schwartz, Erik

AU - Schwartz, E.

AU - Domingos, Sergio R.

AU - Vdovin, Alexander

AU - Koepf, Matthieu

AU - Cornelissen, Jeroen Johannes Lambertus Maria

AU - Buma, Wybren Jan

AU - Rowan, Alan E.

AU - Nolte, Roeland J.M.

AU - Woutersen, Sander

PY - 2010

Y1 - 2010

N2 - We show that the screw sense of polyisocyanide helices can be determined in a simple manner from the vibrational circular dichroism (VCD) of their CN-stretching mode. The relation between VCD and molecular structure is obtained using the coupled-oscillator approximation. It is shown that since the C═N groups point approximately radially outward from the helical axis, the CN-stretch region of the VCD spectrum of a polyisocyanide helix consists of a single couplet, the sign of which is directly related to the screw sense of the helix. We use this method to determine the screw sense of poly(R)-2-isocyanooctane and poly(S)-2-isocyanooctane from their VCD spectrum.

AB - We show that the screw sense of polyisocyanide helices can be determined in a simple manner from the vibrational circular dichroism (VCD) of their CN-stretching mode. The relation between VCD and molecular structure is obtained using the coupled-oscillator approximation. It is shown that since the C═N groups point approximately radially outward from the helical axis, the CN-stretch region of the VCD spectrum of a polyisocyanide helix consists of a single couplet, the sign of which is directly related to the screw sense of the helix. We use this method to determine the screw sense of poly(R)-2-isocyanooctane and poly(S)-2-isocyanooctane from their VCD spectrum.

KW - IR-74121

KW - METIS-273728

U2 - 10.1021/ma101601e

DO - 10.1021/ma101601e

M3 - Article

VL - 43

SP - 7931

EP - 7935

JO - Macromolecules

JF - Macromolecules

SN - 0024-9297

IS - 19

ER -

Direct access to polyisocyanide screw sense using vibrational circular dichroism

Abstract

Keywords

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