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, cilt.44, sa.3, ss.559-573, 2020 (SCI-Expanded) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 44 Sayı: 3
  • Basım Tarihi: 2020
  • Doi Numarası: 10.3906/kim-1911-43
  • Dergi Adı: TURKISH JOURNAL OF CHEMISTRY
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Chemical Abstracts Core, TR DİZİN (ULAKBİM)
  • Sayfa Sayıları: ss.559-573
  • Anahtar Kelimeler: 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 Üniversitesi Adresli: Evet

Özet

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.