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@article{989cbb51b7d14a53ae0c021d2e47a512,
title = "Pentacoordinated silver(I) complex featuring 8-phenylquinoline ligands: Interplay of coordination bonds, semicoordination, and stacking interactions",
abstract = "A rare example of pentacoordinated silver(I) complex featured unconventional type of coordination of 8-phenylquinoline has been prepared. DFT calculations indicated that the silver(I) center forms two strong coordination bonds with the N atoms (21.8–29.8 kcal/mol) and an electrostatically provided bond with the triflate anion (the charges at the silver(I) center and the triflate O atom are estimated as +0.64 and −1.02 e, respectively). The coordination polyhedron is complemented by two semicoordination bonds with the C atoms of the phenyl rings (4.3–6.0 kcal/mol). These silver(I)–phenyl π-interactions are significantly stronger than such interactions observed previously for other systems exhibiting energy lower than 2 kcal/mol.",
keywords = "DFT calculations, Semicoordination, Silver(I), Weak interactions, π-Complex, RECOGNITION, DONOR, SUPRAMOLECULAR DESIGN, PI INTERACTIONS, X-RAY, DIFFRACTION, pi-Complex, ENERGIES",
author = "Bolotin, {Dmitrii S.} and Soldatova, {Natalia S.} and Demakova, {Marina Ya} and Novikov, {Alexander S.} and Ivanov, {Daniil M.} and Aliyarova, {Irina S.} and Alexander Sapegin and Mikhail Krasavin",
year = "2020",
month = may,
day = "1",
doi = "10.1016/j.ica.2020.119453",
language = "English",
volume = "504",
journal = "Inorganica Chimica Acta",
issn = "0020-1693",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Pentacoordinated silver(I) complex featuring 8-phenylquinoline ligands

T2 - Interplay of coordination bonds, semicoordination, and stacking interactions

AU - Bolotin, Dmitrii S.

AU - Soldatova, Natalia S.

AU - Demakova, Marina Ya

AU - Novikov, Alexander S.

AU - Ivanov, Daniil M.

AU - Aliyarova, Irina S.

AU - Sapegin, Alexander

AU - Krasavin, Mikhail

PY - 2020/5/1

Y1 - 2020/5/1

N2 - A rare example of pentacoordinated silver(I) complex featured unconventional type of coordination of 8-phenylquinoline has been prepared. DFT calculations indicated that the silver(I) center forms two strong coordination bonds with the N atoms (21.8–29.8 kcal/mol) and an electrostatically provided bond with the triflate anion (the charges at the silver(I) center and the triflate O atom are estimated as +0.64 and −1.02 e, respectively). The coordination polyhedron is complemented by two semicoordination bonds with the C atoms of the phenyl rings (4.3–6.0 kcal/mol). These silver(I)–phenyl π-interactions are significantly stronger than such interactions observed previously for other systems exhibiting energy lower than 2 kcal/mol.

AB - A rare example of pentacoordinated silver(I) complex featured unconventional type of coordination of 8-phenylquinoline has been prepared. DFT calculations indicated that the silver(I) center forms two strong coordination bonds with the N atoms (21.8–29.8 kcal/mol) and an electrostatically provided bond with the triflate anion (the charges at the silver(I) center and the triflate O atom are estimated as +0.64 and −1.02 e, respectively). The coordination polyhedron is complemented by two semicoordination bonds with the C atoms of the phenyl rings (4.3–6.0 kcal/mol). These silver(I)–phenyl π-interactions are significantly stronger than such interactions observed previously for other systems exhibiting energy lower than 2 kcal/mol.

KW - DFT calculations

KW - Semicoordination

KW - Silver(I)

KW - Weak interactions

KW - π-Complex

KW - RECOGNITION

KW - DONOR

KW - SUPRAMOLECULAR DESIGN

KW - PI INTERACTIONS

KW - X-RAY

KW - DIFFRACTION

KW - pi-Complex

KW - ENERGIES

UR - http://www.scopus.com/inward/record.url?scp=85078080355&partnerID=8YFLogxK

UR - https://www.sciencedirect.com/science/article/pii/S0020169319318250?dgcid=rss_sd_all&utm_source=researcher_app&utm_medium=referral&utm_campaign=RESR_MRKT_Researcher_inbound

UR - http://www.mendeley.com/catalogue/pentacoordinated-silveri-complex-featuring-8phenylquinoline-ligands-interplay-coordination-bonds-sem

U2 - 10.1016/j.ica.2020.119453

DO - 10.1016/j.ica.2020.119453

M3 - Article

AN - SCOPUS:85078080355

VL - 504

JO - Inorganica Chimica Acta

JF - Inorganica Chimica Acta

SN - 0020-1693

M1 - 119453

ER -

ID: 51282776