Novel schiff base-azide metal complexes: Synthesis, spectral, nonlinear optics, and DFT studies

Basit Öğe Kaydı
dc.authorid0000-0001-9307-900X
dc.contributor.authorAvcı, Davut
dc.contributor.authorÖzge, Özgen
dc.contributor.authorSönmez, Fatih
dc.contributor.authorBaşoğlu, Adil
dc.contributor.authorTamer, Ömer
dc.contributor.authorAtalay, Yusuf
dc.date.accessioned2024-07-23T07:35:09Z
dc.date.available2024-07-23T07:35:09Z
dc.date.issued2024en_US
dc.departmentKapadokya Üniversitesi, Kapadokya Meslek Yüksekokulu, Optisyenlik Bölümü
dc.description.abstractIn order to enhance nonlinear optics (NLO)-based technologies, current research focuses on the design and synthesis of coordination materials. In this context, to investigate spectral and theoretical linear optical (LO)/nonlinear optical (NLO) behaviors, novel metal complexes including azide {[Mn (L1)2(N3)2], (9), [Ni(L1)2(N3)], (10), [Co2(L1)2(N3)2]?2H2O, (11); L1: N-(pyridin-2-ylmethylene)methanamine} were synthesized. The vibrational and electronic spectral features of complexes 9–11 were investigated by UV–Vis and FT–IR spectra. Depending on the central metal ion and coordination geometries of complexes, the microscopic static nonlinear behaviors were examined by using the CAM-B3LYP/and ?B97XD/6–311 + G (d,p)//LanL2DZ levels of density functional theory (DFT). Furthermore, the vibrational and electronic properties of complexes 9–11 based on the same levels of time-dependent/density functional theory (TD-DFT/DFT) were surveyed. Additionally, the theoretical ?(1), ?(2), and ?(3) parameters, known as linear optical, second-, and third-order nonlinear optical susceptibility tensors, as well as linear, second-, and third-order polarization parameters (P(1), P(2), and P(3)) for complexes 9–11 were examined. The greatest <?(0; 0,0)> value for complex 10 found to be 262.55 × 10?30 esu using CAM-B3LYP level is 820.5 and 2019.6 times higher than the urea findings (0.32 × 10?30 esu and 0.130 × 10?30 esu). The <?(0; 0,0,0)> results indicate that complex 9 having the highest value obtained at 2216.40 × 10?36 esu using CAM-B3LYP level is 47.76 and 316.63 times greater than those of pNA (15 × 10?36 esu) and urea (7 × 10?36 esu), respectively. Complexes 10 and 9 demonstrated promising microscopic second-order and third-order NLO features, respectively. Our research is anticipated to provide insight into NLO materials that may have applications in optoelectronics and telecommunication field.
dc.identifier.urihttps://dx.doi.org/10.1016/j.mssp.2024.108523
dc.identifier.urihttps://hdl.handle.net/20.500.12695/2815
dc.identifier.volume179en_US
dc.institutionauthorÖzge, Özgen
dc.language.isoen
dc.publisherMaterials Science in Semiconductor Processing
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectSchiff base
dc.subjectAzide
dc.subjectMn/Ni/Co ions
dc.subjectSpectral elucidation
dc.subjectNLO
dc.subjectTD/DFT levels
dc.titleNovel schiff base-azide metal complexes: Synthesis, spectral, nonlinear optics, and DFT studies
dc.typeArticle

Dosyalar

Orijinal paket
Listeleniyor 1 - 1 / 1
[ X ]
İsim:
Materials Science in Semiconductor Processing 179 (2024) 108523.pdf
Boyut:
7.34 MB
Biçim:
Adobe Portable Document Format
Açıklama:
Makale / Article
İndir
Lisans paketi
Listeleniyor 1 - 1 / 1
[ X ]
İsim:
license.txt
Boyut:
1.44 KB
Biçim:
Item-specific license agreed upon to submission
Açıklama:
İndir

Koleksiyon

Optisyenlik - Makale Koleksiyonu