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p-hydroxyphenyldiazonium cation and conjugated base : A quantum chemical study. / Semenov , S.G.; Sigolaeva , I.Yu.

In: Russian Journal of General Chemistry, Vol. 75, No. 5, 05.2005, p. 764-769.

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

Harvard

Semenov , SG & Sigolaeva , IY 2005, 'p-hydroxyphenyldiazonium cation and conjugated base: A quantum chemical study', Russian Journal of General Chemistry, vol. 75, no. 5, pp. 764-769. https://doi.org/10.1007/s11176-005-0315-x

APA

Semenov , S. G., & Sigolaeva , I. Y. (2005). p-hydroxyphenyldiazonium cation and conjugated base: A quantum chemical study. Russian Journal of General Chemistry, 75(5), 764-769. https://doi.org/10.1007/s11176-005-0315-x

Vancouver

Semenov SG, Sigolaeva IY. p-hydroxyphenyldiazonium cation and conjugated base: A quantum chemical study. Russian Journal of General Chemistry. 2005 May;75(5):764-769. https://doi.org/10.1007/s11176-005-0315-x

Author

Semenov , S.G. ; Sigolaeva , I.Yu. / p-hydroxyphenyldiazonium cation and conjugated base : A quantum chemical study. In: Russian Journal of General Chemistry. 2005 ; Vol. 75, No. 5. pp. 764-769.

BibTeX

@article{638c292e9c2c4785aaae2b38147a0157,
title = "p-hydroxyphenyldiazonium cation and conjugated base: A quantum chemical study",
abstract = "Structural parameters and IR spectra of p-hydroxyphenyldiazonium cation and its conjugated base and of their monohydrates in the free state and in aqueous solution were calculated by the B3LYP/6-311G**method. The effects of aqueous medium were taken into account using the polarizable continuum model (PCM). The conjugated base is not a quasiaromatic p-diazoniophenolate zwitterion but has an essentially quinoid structure of 4-diazocyclohexa-2,5-dien-1-one. Its dipole moment in water (8 D) is much lower than that of p- diazoniobenzenesulfonate zwitterion (24 D).",
author = "S.G. Semenov and I.Yu. Sigolaeva",
year = "2005",
month = may,
doi = "10.1007/s11176-005-0315-x",
language = "English",
volume = "75",
pages = "764--769",
journal = "Russian Journal of General Chemistry",
issn = "1070-3632",
publisher = "МАИК {"}Наука/Интерпериодика{"}",
number = "5",

}

RIS

TY - JOUR

T1 - p-hydroxyphenyldiazonium cation and conjugated base

T2 - A quantum chemical study

AU - Semenov , S.G.

AU - Sigolaeva , I.Yu.

PY - 2005/5

Y1 - 2005/5

N2 - Structural parameters and IR spectra of p-hydroxyphenyldiazonium cation and its conjugated base and of their monohydrates in the free state and in aqueous solution were calculated by the B3LYP/6-311G**method. The effects of aqueous medium were taken into account using the polarizable continuum model (PCM). The conjugated base is not a quasiaromatic p-diazoniophenolate zwitterion but has an essentially quinoid structure of 4-diazocyclohexa-2,5-dien-1-one. Its dipole moment in water (8 D) is much lower than that of p- diazoniobenzenesulfonate zwitterion (24 D).

AB - Structural parameters and IR spectra of p-hydroxyphenyldiazonium cation and its conjugated base and of their monohydrates in the free state and in aqueous solution were calculated by the B3LYP/6-311G**method. The effects of aqueous medium were taken into account using the polarizable continuum model (PCM). The conjugated base is not a quasiaromatic p-diazoniophenolate zwitterion but has an essentially quinoid structure of 4-diazocyclohexa-2,5-dien-1-one. Its dipole moment in water (8 D) is much lower than that of p- diazoniobenzenesulfonate zwitterion (24 D).

UR - http://www.scopus.com/inward/record.url?scp=24744466479&partnerID=8YFLogxK

U2 - 10.1007/s11176-005-0315-x

DO - 10.1007/s11176-005-0315-x

M3 - Article

AN - SCOPUS:24744466479

VL - 75

SP - 764

EP - 769

JO - Russian Journal of General Chemistry

JF - Russian Journal of General Chemistry

SN - 1070-3632

IS - 5

ER -

ID: 13349705