Quantum field lability indexes of ligands for predicting some properties of platinum complexes

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Quantum field lability indexes of ligands for predicting some properties of platinum complexes. / Tulub, Alexander A.; Skaletskii, Evgenii K.; Stefanov, Vassilii E.

In: International Journal of Quantum Chemistry, Vol. 65, No. 1, 1997, p. 49-57.

Research output: Contribution to journal › Article › peer-review

BibTeX

@article{c5d9f5afdf8544d0b4983809c72a60ad,

title = "Quantum field lability indexes of ligands for predicting some properties of platinum complexes",

abstract = "The state of a ligand in a molecule is discussed in terms of the quantum field theory operating with wave functions and occupation numbers in the Fock space. Following the basic concepts of the quantum theory, the state of a ligand is considered as an average weighed value of two ionic states given in the form of effective electron charge on ligand. A shift in the ligand state between the ionic states under the influence of an external field is estimated in terms of lability indexes arising as a result of the information statistical theory application to the problem of quantum parameter estimation. The proposed indexes combined with their energetic characteristics are used for predicting cis and trans effects in platinum(II) complexes forming the Werner-Miolatti series.",

author = "Tulub, {Alexander A.} and Skaletskii, {Evgenii K.} and Stefanov, {Vassilii E.}",

year = "1997",

doi = "10.1002/(SICI)1097-461X(1997)65:1<49::AID-QUA5>3.0.CO;2-0",

language = "English",

volume = "65",

pages = "49--57",

journal = "International Journal of Quantum Chemistry",

issn = "0020-7608",

publisher = "Wiley-Blackwell",

number = "1",

}

RIS

TY - JOUR

T1 - Quantum field lability indexes of ligands for predicting some properties of platinum complexes

AU - Tulub, Alexander A.

AU - Skaletskii, Evgenii K.

AU - Stefanov, Vassilii E.

PY - 1997

Y1 - 1997

N2 - The state of a ligand in a molecule is discussed in terms of the quantum field theory operating with wave functions and occupation numbers in the Fock space. Following the basic concepts of the quantum theory, the state of a ligand is considered as an average weighed value of two ionic states given in the form of effective electron charge on ligand. A shift in the ligand state between the ionic states under the influence of an external field is estimated in terms of lability indexes arising as a result of the information statistical theory application to the problem of quantum parameter estimation. The proposed indexes combined with their energetic characteristics are used for predicting cis and trans effects in platinum(II) complexes forming the Werner-Miolatti series.

AB - The state of a ligand in a molecule is discussed in terms of the quantum field theory operating with wave functions and occupation numbers in the Fock space. Following the basic concepts of the quantum theory, the state of a ligand is considered as an average weighed value of two ionic states given in the form of effective electron charge on ligand. A shift in the ligand state between the ionic states under the influence of an external field is estimated in terms of lability indexes arising as a result of the information statistical theory application to the problem of quantum parameter estimation. The proposed indexes combined with their energetic characteristics are used for predicting cis and trans effects in platinum(II) complexes forming the Werner-Miolatti series.

UR - http://www.scopus.com/inward/record.url?scp=0002531303&partnerID=8YFLogxK

U2 - 10.1002/(SICI)1097-461X(1997)65:1<49::AID-QUA5>3.0.CO;2-0

DO - 10.1002/(SICI)1097-461X(1997)65:1<49::AID-QUA5>3.0.CO;2-0

M3 - Article

AN - SCOPUS:0002531303

VL - 65

SP - 49

EP - 57

JO - International Journal of Quantum Chemistry

JF - International Journal of Quantum Chemistry

SN - 0020-7608

IS - 1

ER -

ID: 89842837