Laboratory detection of the elusive HSCO+ isomer.
نویسندگان
چکیده
The rotational spectrum of protonated carbonyl sulfide, HSCO(+), has now been detected in the centimeter-wave band in a molecular beam by Fourier transform microwave spectroscopy. Rotational and centrifugal distortion constants have been determined from transitions in the K(a)=0 ladder of the normal isotopic species, and DSCO(+) and H(34)SCO(+). HSCO(+) is systematically more abundant by a factor of three than HOCS(+), the isomer obtained by attaching the H(+) to the other end of the molecule, which ab initio calculations long predicted to be higher in energy by 4-5 kcalmol. Because HSCO(+) is comparable in polarity to HOCS(+) and is apparently more stable and because OCS is widely distributed in astronomical sources, HSCO(+) is a good candidate for detection with radio telescopes.
منابع مشابه
Adsorption of melphalan anticancer drug on the surface of fullerene (C24): a comprehensive DFT study
Objective (s): The present study aimed to assess the adsorption of fullerene C24 with Melphalan anticancer agent in a solvent phase (water) at the B3LYP/6-31G (d) theoretical level.Materials and Methods: Initially, the structures of Melphalan and fullerene complexes were optimized in four configurations. Afterwards, IR calculations and molecular orbital analysis were performed. In addition, som...
متن کاملStructure and isomeric studies of 1,3-diaryl-H-benzo[f]chromene, catalyst effect or thermodynamic stability? An ab initio study
Two possible isomers of some 1,3-diaryl-H-benzo[f]chromene have been studied using density functional theory. Structures of E1 and E2 isomers were optimized at the B3LYP and MP2 levels with different basis sets. The total electronic energies show that E2 isomer is about 3-5 kcal/mol more stable than E1 isomer and this energy difference is attributed to the planarity of heterocyclic ring and mor...
متن کاملEvaluation of D-isomer of 18F-FBPA for oncology PET focusing on the differentiation of glioma and inflammation
Objective(s): L-4-borono-2-18F-fluoro-phenylalanine (L-[18F]FBPA), a substrate of L-type amino acid transporter 1 (LAT1), is a tumor-specific probe used in positron emission tomography (PET). On the other hand, it has not been examined whether another isomer D-[18F]FBPA accumulates specifically in the tumor. He...
متن کاملStructure and isomeric studies of 1,3-diaryl-H-benzo[f]chromene, catalyst effect or thermodynamic stability? An ab initio study
Two possible isomers of some 1,3-diaryl-H-benzo[f]chromene have been studied using density functional theory. Structures of E1 and E2 isomers were optimized at the B3LYP and MP2 levels with different basis sets. The total electronic energies show that E2 isomer is about 3-5 kcal/mol more stable than E1 isomer and this energy difference is attributed to the planarity of heterocyclic ring and mor...
متن کاملLaboratory Methods for the Detection of Various Types of Proteinuria in Renal Patients
بیماریهای کلیوی گروه بزرگی از بیماریهای مرتبط با ساختار و عملکرد کلیه را شامل می شوند. از آنجا که این بیماری در مراحل اولیه با علائم مبهم و نامشخص همراه می باشند، لذا به راحتی نادیده گرفته شده و اغلب تشخیص پس از پیشرفت بیماری صورت می گیرد.
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
- The Journal of chemical physics
دوره 127 22 شماره
صفحات -
تاریخ انتشار 2007