Characterization of organic isomers: CID fragmentation technique on protonated hydroxybenzophenone isomers
نویسندگان
چکیده
منابع مشابه
The Three Isomers of Protonated Ethane, C2H7
The fluxional behavior of the protonated ethane ion was examined using both static and dynamic modeling. Static ab initio calculations, including perturbation theory (MP2), coupled cluster (CCSD(T)), and density functional theory, were used to locate various minima, saddle points, and G2-quality relative energies on the potential energy surface for atomic motions. In tandem, Car-Parrinello mole...
متن کاملIsomers of metal-organic complex arrays.
Three metal-organic complex arrays (MOCAs) with a specific sequence of metal centers as well as that of amino acid units were synthesized. These MOCAs are also isomers exhibiting a gelation capability dependent on the location of the metal complexes in the arrays.
متن کاملAb initio characterization of linear C3Si isomers
Aims. This paper presents an ab initio characterization of linear isomers of C3Si, which are suitable species for astrophysical detection in carbon-rich sources. Methods. By the help of multiconfigurational calculations, two linear minima are characterized, namely l-SiCCC and l-CSiCC, whose relative energy is 3.3 eV, and their electronic ground states have X3Σ− symmetry, and their electronic sp...
متن کاملTopological characterization of five CT8 fullerene isomers
Experimental and theoretical studies on fullerene cages are the topic of several investigations in recent years [ 1-l 11. Since the chemistry of fullerenes is increasingly becoming important and theoretical studies of these cages are on the increase it is necessary to have several mathematical procedures for the study of topological properties of these cages. Topological, graph theoretical and ...
متن کاملInvestigating carbohydrate isomers by IMS-CID-IMS-MS: precursor and fragment ion cross-sections.
Ion mobility spectrometry techniques (IMS and IMS-IMS) combined with collision-induced dissociation (CID) and mass spectrometry (MS) are used to investigate the structures of singly-lithiated carbohydrate isomers. With the exception of some favorable cases, IMS-MS analyses of underivatized carbohydrates reveal that most isobaric precursor ions have similar collision cross sections (ccs). In con...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Arkivoc
سال: 2020
ISSN: 1551-7012
DOI: 10.24820/ark.5550190.p011.102