Phosphorus-nitrogen compounds (Part 51): the relationship between spectroscopic and crystallographic data of mono- and di-spirocyclophosphazene derivatives with 4-fluoro/nitrophenylmethyl pendant arm/arms

OKUMUŞ A., ELMAS G., ASMAFİLİZ N., BİLGE KOÇAK S., Kilic Z.

TURKISH JOURNAL OF CHEMISTRY, vol.44, no.3, pp.559-573, 2020 (SCI-Expanded) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 44 Issue: 3
  • Publication Date: 2020
  • Doi Number: 10.3906/kim-1911-43
  • Journal Name: TURKISH JOURNAL OF CHEMISTRY
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Chemical Abstracts Core, TR DİZİN (ULAKBİM)
  • Page Numbers: pp.559-573
  • Keywords: spiroCyclophosphazene, 4-fluoro/nitrophenylmethyl pendant arm, (31) P NMR, X-ray crystallography, electron density transfer parameter, PIVOT ETHER DERIVATIVES, DNA INTERACTIONS, STRUCTURAL INVESTIGATIONS, BIOLOGICAL-ACTIVITIES, CYTOTOXIC ACTIVITIES, ANTIMICROBIAL ACTIVITIES, PHOSPHAZENE DERIVATIVES, ELECTROCHEMICAL INVESTIGATIONS, CRYSTAL-STRUCTURES, SPECTRAL INVESTIGATIONS
  • Ankara University Affiliated: Yes

Abstract

A great wealth of structural information about phosphazenes can be gleaned from the combined spectroscopic and crystallographic data. When data from (31) P NMR spectroscopy and X-ray crystallography are put together like pieces in a puzzle, a number of correlations can be obtained for phosphazene derivatives. A systematic study concerning the correlations among the structural parameters (e.g., (31) P NMR data, endocyclic/exocyclic NPN bond angles and bond lengths) revealed some characteristics of mono- and di-spirocyclophosphazene derivatives bearing 4fluoro/nitrophenylmethyl pendant arm/arms. These correlations include the relationship between the delta P-spiro shifts, the values of electron density transfer parameters Delta(P-N), and the endocyclic and exocyclic NPN bond angles of the cyclophosphazenes. The structural parameters were compared with each other for 19 compounds of 5 different architectural types of cyclophosphazenes with 5- to 7-membered spiro-rings.