Sökning: onr:"swepub:oai:DiVA.org:kth-193807" >
Formation of stable...
Formation of stable HCl+ following resonant Auger decay in CH3Cl
-
Kokkonen, E. (författare)
-
- Vapa, Matti (författare)
- KTH,Teoretisk kemi och biologi
-
Bucar, K. (författare)
-
visa fler...
-
Jankala, K. (författare)
-
Cao, W. (författare)
-
Zitnik, M. (författare)
-
Huttula, M. (författare)
-
visa färre...
-
(creator_code:org_t)
- American Physical Society, 2016
- 2016
- Engelska.
-
Ingår i: PHYSICAL REVIEW A. - : American Physical Society. - 2469-9926. ; 94:3
- Relaterad länk:
-
https://urn.kb.se/re...
-
visa fler...
-
https://doi.org/10.1...
-
visa färre...
Abstract
Ämnesord
Stäng
- Photoinduced reformation of chemical bonds is investigated in the CH3Cl molecule experimentally and computationally. The observation of stable HCl+ fragment formation after resonant Cl 2p photoexcitation is confirmed by an electron-ion coincidence experiment, and its possible creation mechanism is reported. We attribute the formation of HCl+ to specific final states populated by the resonant Auger decay. Quantum chemical computations support this attribution and suggest that in at least one of those states the system is placed on a potential energy surface which favors creation of HCl+ by moving one hydrogen atom to a closer proximity of the chlorine atom. This work demonstrates the effect of targeted core-shell excitation on the chemical bond breaking and reformation process, often called photoinduced chemistry.
Ämnesord
- NATURVETENSKAP -- Kemi -- Teoretisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
Hitta via bibliotek
Till lärosätets databas