• Home
  • About
  • Policies
  • Contact
    • Türkçe
    • English
  • English 
    • Türkçe
    • English
  • Login
Advanced Search
View Item 
  •   Home
  • Fen Edebiyat Fakültesi / Faculty of Letters and Sciences
  • Fizik / Physics
  • Bildiriler, Kongreler ve Sempozyumlar / Declarations, Congresses and Symposiums
  • View Item
  •   Home
  • Fen Edebiyat Fakültesi / Faculty of Letters and Sciences
  • Fizik / Physics
  • Bildiriler, Kongreler ve Sempozyumlar / Declarations, Congresses and Symposiums
  • View Item
JavaScript is disabled for your browser. Some features of this site may not work without it.

Structure and Spectro-scopic Properties of Nickel(II) Dimethylxanthate

Thumbnail
Author
Öğrüç Ildız, Gülce
Type
conferenceObject
Date
2018
Language
en_US
Metadata
Show full item record
Abstract
The structural and spectroscopic characterization of nickel(II) dimethyl xanthate is described. DFT calculations revealed that the isolated molecule of the complex may exist in two nearly degenerated conformers (cis and trans, with the methyl groups of the ligand molecules positioned the same side or in opposite sides of the molecule, respectively; see Figure). In the crystalline compound, only the trans conformer is present, with the individual molecules in the crystal exhibiting a slightly distorter geometry from the D2h symmet~ -y point group due to intermolecular interactions. DFT and TD-DFT calculations were also carried on in order to interpret and help achieving full spectral assignment of the infrared spectra of the crystal and of the UV-vis absorbance spectrum of the complex in CHCI3 solution. The latter revealed that metal to ligand charge transfer is relevant in determining the electronic properties of the studied complex. On the other hand, the IR data point to relatively weak intermolecular interactions in the solid material, since the intramolecular vibrational potential describing the vibrations of the isolated molecule appears to be only slightly affected by the intermolecular potential. This conclusion is also supported by the structural data, the calculated equilibrium geometry for the trans isolated conformer and that found for the molecules within the crystal being very similar. Nevertheless, it was possible to identify the most important intermolecular interactions present in the crystal of the complex as being of the S•••H type.
URI
https://hdl.handle.net/11413/4211
Collections
  • Bildiriler, Kongreler ve Sempozyumlar / Declarations, Congresses and Symposiums [75]

İstanbul Kültür University

Hakkında |Politika | Kütüphane | İletişim | Send Feedback | Admin

Istanbul Kültür University, Ataköy Campus E5 Karayolu Üzeri Bakırköy 34158, İstanbul / TURKEY
Copyright © İstanbul Kültür University

Creative Commons Lisansı
IKU Institutional Repository, Creative Commons Alıntı-GayriTicari-Türetilemez 4.0 Uluslararası Lisansı ile lisanslanmıştır.

Designed by  UNIREPOS

İKU Kütüphane


Browse

All of DSpaceCommunities & CollectionsBy Issue DateAuthorsTitlesSubjectsTypeLanguageBy PublisherRightsPubmedScopusWoSThis CollectionBy Issue DateAuthorsTitlesSubjectsTypeLanguageBy PublisherRightsPubmedScopusWoS

My Account

Login

İstanbul Kültür University

Hakkında |Politika | Kütüphane | İletişim | Send Feedback | Admin

Istanbul Kültür University, Ataköy Campus E5 Karayolu Üzeri Bakırköy 34158, İstanbul / TURKEY
Copyright © İstanbul Kültür University

Creative Commons Lisansı
IKU Institutional Repository, Creative Commons Alıntı-GayriTicari-Türetilemez 4.0 Uluslararası Lisansı ile lisanslanmıştır.

Designed by  UNIREPOS