New Compound of Pyridine-4-Boronic Acid Cation and Pt(CN)4 Anion Salt: Synthesis, Structural Properties, Hirshfeld Surface Analysis and Density Functional Theory Calculations

Elif GÜNGÖR; Resul SEVİNÇEK; Hülya KARA SUBASAT

doi:https://doi.org/10.21597/jist.859627

Makale detayları

New Compound of Pyridine-4-Boronic Acid Cation and Pt(CN)4 Anion Salt: Synthesis, Structural Properties, Hirshfeld Surface Analysis and Density Functional Theory Calculations

Yazarlar:

Elif GÜNGÖR | Resul SEVİNÇEK | Hülya KARA SUBASAT

Yayıncı:

Igdir University

Ana Başlıklar:

Fizik

Dergi:

Journal of the Institute of Science and Technology 2021 Vol.11 Issue 3, pp.1990-2000

Belge Tipi:

Makale

Yayın Tarihi:

8/2021

Belge Dili:

İngilizce

Document ID (Org No.):

2000462564

Sıklık:

Üç Aylık

eISSN:

2536-4618

DOI:

https://doi.org/10.21597/jist.859627

Özet:

 

In this work, the novel compound [HNC5H4B(OH)2-4][Pt(CN)4] (1) has been synthesized and structurally characterized. The compound (1) crystallizes in monoclinic, space group P21/c, a=5.6159(11) Å, b=14.656(3) Å, c=11.619(2) Å, =90, β= 110.35(3), γ=90, V= 896.6(3) Å3, Z=2. The optimum molecular geometry parameters have been investigated with the DFT/B3LYP method. All geometric parameters are found in good agreement with crystallographic and computational results. Contributions of fragments molecular orbitals (HOFO-LUFO) to frontier molecular orbitals (HOMOLUMO) are calculated charge transferred from Pt moiety to other fragments.

Makale detayları

New Compound of Pyridine-4-Boronic Acid Cation and Pt(CN)4 Anion Salt: Synthesis, Structural Properties, Hirshfeld Surface Analysis and Density Functional Theory Calculations

Yazarlar: Elif GÜNGÖR | Resul SEVİNÇEK | Hülya KARA SUBASAT

Yayıncı: Igdir University

Ana Başlıklar: Fizik

Dergi: Journal of the Institute of Science and Technology 2021 Vol.11 Issue 3, pp.1990-2000

Belge Tipi: Makale

Yayın Tarihi: 8/2021

Belge Dili: İngilizce

Document ID (Org No.): 2000462564

Sıklık: Üç Aylık

eISSN: 2536-4618

DOI: https://doi.org/10.21597/jist.859627

Sayı

Yazarlar:

Elif GÜNGÖR | Resul SEVİNÇEK | Hülya KARA SUBASAT

Yayıncı:

Igdir University

Ana Başlıklar:

Fizik

Dergi:

Journal of the Institute of Science and Technology 2021 Vol.11 Issue 3, pp.1990-2000

Belge Tipi:

Makale

Yayın Tarihi:

8/2021

Belge Dili:

İngilizce

Document ID (Org No.):

2000462564

Sıklık:

Üç Aylık

eISSN:

2536-4618

DOI:

https://doi.org/10.21597/jist.859627