The Electromagnetic Feature of B15N15Hx (x=0, 4, 8, 12, 16, and 20) Nano Rings: Quantum Theory of Atoms in Molecules/NMR Approach

MOLLAAMIN, Fatemeh; Najafpour, J.; Ghadami, S.; Ilkhani, A. R.; Akrami, M. S.; MONAJJEMI, Majıd

doi:10.1166/jctn.2014.3495

The Electromagnetic Feature of B₁₅N₁₅H_x (x=0, 4, 8, 12, 16, and 20) Nano Rings: Quantum Theory of Atoms in Molecules/NMR Approach

Yazarlar (6)

Dr. Öğr. Üyesi Fatemeh MOLLAAMIN Islamic Azad University, Qom Branch, İran

J. Najafpour Islamic Azad University, Shahr-E-Rey Branch, İran

S. Ghadami Islamic Azad University, Science And Research Branch, İran

A. R. Ilkhani Islamic Azad University, Yazd Branch, İran

M. S. Akrami
Islamic Azad University, Yazd Branch, İran

Prof. Dr. Majıd MONAJJEMI Islamic Azad University, Science And Research Branch, İran

Makale Türü	Özgün Makale (ESCI dergilerinde yayınlanan tam makale)
Dergi Adı	Journal of Computational and Theoretical Nanoscience
Dergi ISSN	1546-1955 Wos Dergi Scopus Dergi
Makale Dili	İngilizce	Basım Tarihi	05-2014
Cilt / Sayı / Sayfa	11 / 5 / 1290–1298	DOI	10.1166/jctn.2014.3495
Makale Linki	http://www.scopus.com/inward/record.url?eid=2-s2.0-84896778382&partnerID=MN8TOARS

Özet

The quantum chemical model of QTAIM approach based on topology of the quantum have characterized the electromagnetic interactions of B 15N15 and B15N15Hx (x = 4, 8, 12, 16, 20) Nano rings with B3LYP method. Optimized structures, atomic charge, electron localization, electron delocalization and the magnetizability with the nuclear magnetic shielding tensor underlying NMR spectroscopy in terms of the boro, nitrogen and hydrogen nuclei by the current induced and an external magnetic fieldhave been investigated. We have obtained an appropriate linear relation between the isotropic shielding and isotropic bond magnetizability and average number of electron pairs for all boron and nitrogen atoms in B 15N15 and B15N15Hx substituents. Copyright © 2014 American Scientific Publishers.

Anahtar Kelimeler

BM Sürdürülebilir Kalkınma Amaçları

Atıf Sayıları
Web of Science	35
Scopus	82

The Electromagnetic Feature of B₁₅N₁₅H_x (x=0, 4, 8, 12, 16, and 20) Nano Rings: Quantum Theory of Atoms in Molecules/NMR Approach

Dergi Adı	Journal of Computational and Theoretical Nanoscience
Yayıncı	American Scientific Publishers
Açık Erişim	Hayır
ISSN	1546-1955
E-ISSN	1546-1963
CiteScore	1,4
SJR	0,172
SNIP	0,567

The Electromagnetic Feature of B15N15Hx (x=0, 4, 8, 12, 16, and 20) Nano Rings: Quantum Theory of Atoms in Molecules/NMR Approach

Paylaş

The Electromagnetic Feature of B₁₅N₁₅H_x (x=0, 4, 8, 12, 16, and 20) Nano Rings: Quantum Theory of Atoms in Molecules/NMR Approach