Cs Simetrisindeki Trikarbonil Komplekslerinin Kuvvet Sabitlerinin Yeni Bir Metot ile Analizi

Year 2018, Volume: 8 Issue: 1, 59 - 68, 15.06.2018

Elvan Üstün Cemal Kaya

Abstract

Erken
dönem çalışmalarında genellikle katalizör olarak kullanılan metal karbonil
kompleksleri, CMIA ve CORMs olarak potansiyel farmakolojik uygulamalarda
kullanıldıkları için son zamanlarda daha fazla dikkat çekmektedirler. Ayrıca
metal karboniller, orta-IR bölgesindeki özel spektroskopik özellikleri
sayesinde biyoprob ve protein etiketleme ajanı olarak kullanılmaktadır.
Karbonil komplekslerinin IR bandlarının sayısı ve yeri, karbonil ve diğer bağlı
ligandların oluşturduğu kimyasal çevreden etkilenmektedir. Metal karbonil
komplekslerinin kuvvet sabitleri, bağlı ligandların elektronik etkileri
konusunda kalitatif ve kantitatif olarak anlamlı bilgiler verebilirler. Bununla
birlikte, kuvvet sabitleri, karbonil komplekslerinin izolobal benzerliği ile
ilgili kullanışlı bir kriter olarak değerlendirilebilir. Bu çalışmada önerilen
yeni ve basit metot ile farklı ikincil ligandlar bulunduran pek çok metal
karbonil kompleksinin kuvvet ve etkileşim sabitleri, bu ligandların
σ-verici/π-alıcı özellikleri hakkında öngörü oluşturmak için hesaplanmıştır.

Keywords

Metal karbonil kompleksleri, CO-ayrımlı kuvvet alanları, Kuvvet sabitleri

A New Method for Analyzing the Force Constants of Tricarbonyl Complexes with CS Symmetry

Abstract

Metal carbonyl complexes that generally used as
catalyst in early researches have attracted much attention recently due to
their potential pharmaceutical applications as CMIA and CORMs. Metal carbonyls
also have used also as bioprobe, protein-labelling agent thanks to unique
spectroscopic feature in mid-IR. The position and the number of carbonyl IR
bands have affected by chemical environment of carbonyl unit and coordinated
ligands. Therefore, the force constants of metal carbonyl complexes could give
meaningful qualitative and quantitative information about the electronic
influences of the coordinated ligands. Additionally the force constants could
be useful criteria when the carbonyl ligands have evaluated in terms of
isolobal analogy. In this study, the stretching and the interaction force
constants of many metal carbonyl complexes with lots of different seconder
ligands have calculated with a new suggested simple method to gain insight into
the σ-donor/π-acceptor properties of these coordinated ligands.

Keywords

Metal carbonyl complexes, CO-factored force fields, Force constants

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