Is It Conjugated or Not? The Theoretical and Experimental Electron Density Map of Bonding in p-CH3CH2COC6H4-C&#8801;C-C&#8801;C-p-C6H4COCH3CH2.

Starynowicz, Przemyslaw; Berski, Slawomir; Gulia, Nurbey; Osowska, Karolina; Lis, Tadeusz; Szafert, Slawomir

Is It Conjugated or Not? The Theoretical and Experimental Electron Density Map of Bonding in p-CH₃CH₂COC₆H₄-C≡C-C≡C-p-C₆H₄COCH₃CH₂.

Starynowicz, Przemyslaw; Berski, Slawomir; Gulia, Nurbey; Osowska, Karolina; Lis, Tadeusz; Szafert, Slawomir.

Afiliação

Starynowicz P; Department of Chemistry, University of Wroclaw, 14 F. Joliot-Curie, 50-383 Wroclaw, Poland.
Berski S; Department of Chemistry, University of Wroclaw, 14 F. Joliot-Curie, 50-383 Wroclaw, Poland.
Gulia N; Department of Chemistry, University of Wroclaw, 14 F. Joliot-Curie, 50-383 Wroclaw, Poland.
Osowska K; Department of Chemistry, University of Wroclaw, 14 F. Joliot-Curie, 50-383 Wroclaw, Poland.
Lis T; Department of Chemistry, University of Wroclaw, 14 F. Joliot-Curie, 50-383 Wroclaw, Poland.
Szafert S; Department of Chemistry, University of Wroclaw, 14 F. Joliot-Curie, 50-383 Wroclaw, Poland.

Molecules ; 25(19)2020 Sep 24.

Article em En | MEDLINE | ID: mdl-32987740

Assuntos

Alcinos/química; Modelos Moleculares; Cristalografia por Raios X; Ligação de Hidrogênio; Difração de Raios X

Palavras-chave

density map; electron localization function; polyynes; single-crystal X-ray diffraction; theoretical calculations

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Ano de publicação: 2020 Tipo de documento: Article

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Ano de publicação: 2020 Tipo de documento: Article