Transition metal complexes of NHE ligands [(CO)4W-{NHE}] with E = C – Pb as tracers in environmental study: structures, energies, and natural bond orbital of molecular interaction

Transition metal complexes of NHE ligands [(CO)4W-{NHE}] with E = C – Pb as tracers in environmental study: structures, energies, and natural bond orbital of molecular interaction

Quantum chemical calculations at BP86/TZVPP//BP86/SVP have been carried out for the Nheterocylic carbene and analogues complexes (tetrylene) [(CO)4W-NHE] (W4-NHE) with E = C – Pb. The tetrylene complexes W4-NHE possess end-on-bonded NHE ligands (E = C, Si), while for E = Ge and Sn, they possess slig...

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Bibliographic Details
Main Author: Nguyen, Thi Ai Nhung
Other Authors: Technische Universität Dresden, Fakultät Umweltwissenschaften
Format: Article
Language:English
Published: Saechsische Landesbibliothek- Staats- und Universitaetsbibliothek Dresden 2015
Subjects:
Tetrylene
Bindungsdissoziationsenergie (BDE)
End-on-gebundene Liganden
Side-on gebundene Liganden
Übergangsmetallkomplexe
natürliches Bindungsorbital (NBO)
bond disscosiation energy (BDE)
end-on-bonded ligands
side-onbonded ligands
transition metal complexes
natural bond orbital (NBO).
ddc:363.7
rvk:AR 14000
Online Access:http://nbn-resolving.de/urn:nbn:de:bsz:14-qucosa-190482
http://nbn-resolving.de/urn:nbn:de:bsz:14-qucosa-190482
http://www.qucosa.de/fileadmin/data/qucosa/documents/19048/2014%2C_Vol._6%2C%20No._2%2C_pp._149-154.pdf

Internet

http://nbn-resolving.de/urn:nbn:de:bsz:14-qucosa-190482
http://nbn-resolving.de/urn:nbn:de:bsz:14-qucosa-190482
http://www.qucosa.de/fileadmin/data/qucosa/documents/19048/2014%2C_Vol._6%2C%20No._2%2C_pp._149-154.pdf

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