晶体结构解析中,0.75 for structures with solvent naphthamolecules什么意思

Molecular Attochemistry in Non-polar Liquid Environment: Ultrafast Charge Migration Dynamics through Gold-Thiolate and Gold-Selenolate Linkages -
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|Molecular Attochemistry in Non-polar ...
Molecular attosecond science has already started contributing to our fundamental understanding of ultrafast pure electron dynamics in isolated molecules under vacuum. Extending attosecond science to the liquid phase is expected to offer new insight into the influence of a surrounding solvent environment on t
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Your browser does not support JavaScript. To use all the functions on Chemie.DE please activate JavaScript.Is there an Excited State Proton Transfer in phenol (or 1-naphtho...: Ingenta Connect
Volume 21,&Number 3
Authors: ;&;&
Source: , Volume 21,&Number 3, 1 July 2002, pp. 499-523(25)Publisher:
This contribution highlights recent advances in the understanding of excited state dynamics in aromatic enols. This review will be mainly focused on the experimental and theoretical work performed on two model systems, 1-naphthol-ammonia and phenol-ammonia, and most particularly on cluster studies. These systems have long been thought to be prototypes for the famous 'solvent-induced excited state proton transfer reaction', but recent results contradict this mechanism. The dynamics of these systems, excited in the S1 (*) state, is not governed by couplings with ion pair states, inducing intracluster proton transfer, but rather linked to a crossing with a higher excited singlet state of the * Rydberg state character, dissociative along the OH coordinate, leading to a hydrogen transfer from the hydroxyl group to the ammonia cluster via a non-adiabatic process, a mechanism also referred to as 'concerted electron and proton transfer'. The crossing of the higher 1* state with lower excited 1* and ground states seems to be a general property in aromatic enols and azines (indole derivatives) and can help to understand the non-radiative decays in amino acid molecules as well as in DNA bases.
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