A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
Noncovalent axial I∙∙∙Pt∙∙∙I interactions in platinum(II) complexes strengthen in the excited state (2021)
Bulatov, E., Eskelinen, T., Ivanov, A. Y., Tolstoy, P. M., Kalenius, E., Hirva, P., & Haukka, M. (2021). Noncovalent axial I∙∙∙Pt∙∙∙I interactions in platinum(II) complexes strengthen in the excited state. ChemPhysChem, 22(20), 2044-2049. https://doi.org/10.1002/cphc.202100468
JYU-tekijät tai -toimittajat
Julkaisun tiedot
Julkaisun kaikki tekijät tai toimittajat: Bulatov, Evgeny; Eskelinen, Toni; Ivanov, Alexander Yu.; Tolstoy, Peter M.; Kalenius, Elina; Hirva, Pipsa; Haukka, Matti
Lehti tai sarja: ChemPhysChem
ISSN: 1439-4235
eISSN: 1439-7641
Julkaisuvuosi: 2021
Ilmestymispäivä: 30.07.2021
Volyymi: 22
Lehden numero: 20
Artikkelin sivunumerot: 2044-2049
Kustantaja: Wiley
Julkaisumaa: Saksa
Julkaisun kieli: englanti
DOI: https://doi.org/10.1002/cphc.202100468
Julkaisun avoin saatavuus: Avoimesti saatavilla
Julkaisukanavan avoin saatavuus: Osittain avoin julkaisukanava
Julkaisu on rinnakkaistallennettu (JYX): https://jyx.jyu.fi/handle/123456789/78265
Tiivistelmä
Coordination compounds of platinum(II) participate in various noncovalent axial interactions involving metal center. Weakly bound axial ligands can be electrophilic or nucleophilic; however, interactions with nucleophiles are compromised by electron density clashing. Consequently, simultaneous axial interaction of platinum(II) with two nucleophilic ligands is almost unprecedented. Herein, we report structural and computational study of a platinum(II) complex possessing such intramolecular noncovalent I∙∙∙Pt∙∙∙I interactions. Structural analysis indicates that the two iodine atoms approach the platinum(II) center in a “side-on” fashion and act as nucleophilic ligands. According to computational studies, the interactions are dispersive, weak and anti-cooperative in the ground electronic state, but strengthen substantially and become partially covalent and cooperative in the lowest excited state. Strengthening of I∙∙∙Pt∙∙∙I contacts in the excited state is also predicted for the sole previously reported complex with analogous axial interactions.
YSO-asiasanat: platina; jodi; ligandit; kemialliset yhdisteet; fysikaalinen kemia
Vapaat asiasanat: noncovalent interactions; axial interactions; excited states
Liittyvät organisaatiot
OKM-raportointi: Kyllä
Raportointivuosi: 2021
JUFO-taso: 1