Abstract
Bu
çalışmada grup 1 ve 2 halojenürlerin örgü enerjilerini hesaplamak için iyonik
bileşiği oluşturan katyon ve anyonların mutlak sertlik değerlerine dayalı yeni
denklemler türetilmiştir.
Verilen
denklemlerde, r+ ve r+2 = katyon yarıçapı (pm); η+
ve η+2 = katyon mutlak sertliği (eV). η- = anyon mutlak
sertliği (eV). Belirtilmelidir ki, çalışmada dikkate alınan iyonik bileşikler
için elde edilen denklemler aracılığıyla hesaplanan örgü enerjisi değerleri,
literatürden elde edilen referans değerler ile uyum içerisindedir.
References
- [1] R.F. de Farias, Inorg. Chem., 55 (23) (2016) 12126. [2] L. Glasser, H.D.B. Jenkins, J. Am. Chem. Soc., 122 (2000) 632. [3] S. Kaya, C. Kaya, Inorg. Chem., 54 (2015) 8207. [4] R.F. de Farias, Chem. Res. J., 2(4) (2017) 188. [5] M.V. Putz, Absolute and chemical electronegativity and hardness, Nova Science Publishers, New York, 2009. [6] http://www.rsc.org/periodic-table. [7] L. Mu, C. Feng, H. He, Commun. Math. Comput. Chem., 56 (2000) 97. [8] CRC Handbook of Chemistry and Physics 96th ed., Taylor and Francis, Boca Raton, 2016. [9] http://abulafia.mt.ic.ac.uk/shannon/. [10] A.F. Kapustinskii, Q. Rev. Chem. Soc., 10 (1956) 283. [11] R.F. de Farias, unpublished results.
Abstract
In
this work, we presented new empirical equations to calculate the lattice energy
values of groups 1 and 2 halides based on absolute hardness values of cations
and anions forming the ionic compound.
In
the given equations, r+ and r+2 = cation radius (pm); η+
and η+2 = cation absolute hardness (eV) and η- = anion
absolute hardness (eV). Here, it should be noted that calculated lattice energy
values for mentioned ionic compounds are in good agreement with the reference
values obtained from the literature.
References
- [1] R.F. de Farias, Inorg. Chem., 55 (23) (2016) 12126. [2] L. Glasser, H.D.B. Jenkins, J. Am. Chem. Soc., 122 (2000) 632. [3] S. Kaya, C. Kaya, Inorg. Chem., 54 (2015) 8207. [4] R.F. de Farias, Chem. Res. J., 2(4) (2017) 188. [5] M.V. Putz, Absolute and chemical electronegativity and hardness, Nova Science Publishers, New York, 2009. [6] http://www.rsc.org/periodic-table. [7] L. Mu, C. Feng, H. He, Commun. Math. Comput. Chem., 56 (2000) 97. [8] CRC Handbook of Chemistry and Physics 96th ed., Taylor and Francis, Boca Raton, 2016. [9] http://abulafia.mt.ic.ac.uk/shannon/. [10] A.F. Kapustinskii, Q. Rev. Chem. Soc., 10 (1956) 283. [11] R.F. de Farias, unpublished results.
Details
| Primary Language | English |
|---|---|
| Journal Section | Natural Sciences |
| Authors | |
| Publication Date | March 16, 2018 |
| Submission Date | October 22, 2017 |
| Acceptance Date | March 9, 2018 |
| Published in Issue | Year 2018Volume: 39 Issue: 1 |
