Photodissociation spectroscopy of the Mg+-acetic acid complex.

نویسندگان

  • Yohannes Abate
  • P D Kleiber
چکیده

We have studied the structure and photodissociation of Mg(+)-acetic acid clusters. Ab initio calculations suggest four relatively strongly bound ground state isomers for the [MgC(2)H(4)O(2)](+) complex. These isomers include the cis and trans forms of the Mg(+)-acetic acid association complex with Mg(+) bonded to the carbonyl O atom of acetic acid, the Mg(+)-acetic acid association complex with Mg(+) bonded to the hydroxyl O atom of acetic acid, or to a Mg(+)-ethenediol association complex. Photodissociation through the Mg(+)-based 3p<--3s absorption bands in the near UV leads to direct (nonreactive) and reactive dissociation products: Mg(+), MgOH(+), Mg(H(2)O)(+), CH(3)CO(+), and MgCH(3) (+). At low energies the dominant reactive quenching pathway is through dehydration to Mg(H(2)O)(+), but additional reaction channels involving C-H and C-C bond activation are also open at higher energies.

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Photodissociation of organic molecules in star-forming regions II: Acetic acid

Fragments from organic molecule dissociation (such as reactive ions and radicals) can form interstellar complex molecules like amino acids. The goal of this work is to experimentally study photoionization and photodissociation processes of acetic acid (CH3COOH), a glycine (NH2CH2COOH) precursor molecule, by soft X-ray photons. The measurements were taken at the Brazilian Synchrotron Light Labor...

متن کامل

Photodissociation of acetic acid in the gas phase: an ab initio study.

Photodissociation of acetic acid in the gas phase was investigated using ab initio molecular orbital methods. The stationary structures on the ground-state potential energy surfaces were mainly optimized at the MP2 level of theory, while those on the excited-state surfaces were determined by complete active space SCF calculations with a correlation-consistent basis set of cc-pVDZ. The reaction ...

متن کامل

Interaction of Pyrene with Human Serum Albumin (HSA): A Ilv-Vis Spectroscopy Study

In this research the interaction of Pyrene (Cullm) as a polycyclic aromatic hydrocarbon with human serumalbumin (HSA) has been investigated. Variations of UV-Vis spectrum of Prene can help us to investigatethe changes that are ereated in protein structure. Pyrene in insoluble in water and soluble in acetic acid.mixture of acetic acid and water and in organic solvents such as methanol. UV-Vis sp...

متن کامل

Effect of Thidiazuron and Naphthalene Acetic Acid (NAA) on the Vase Life and Quality of Cut Alestroemeria hybrida

Alstromeria is a new cut flower in Iran that due to the high performance, long life, and pretty flowers and colors diversity is highly regarded. Premature yellowing of leaves in cut flowersAlstromeria before petal fall is the most important factor limiting the vase life of flowers. To delay leaf yellowing and increased quality, factorial experiment based on completely randomized design carried ...

متن کامل

Pharmacokinetic studies and human absorbed dose estimation of 68Ga-(4 {[(bis (phosphonomethyl)) carbamoyl] methyl}-7,10-bis(carboxymethy l) -1,4,7,10-tetraazacyclododec-1-yl) acetic acid

Background: In this study, human absorbed dose of a newly introduced bone imaging agent, 68Ga-(4-{[(bis(phosphonomethyl))carbamoyl]methyl}-7,10-bis(carboxymethyl)-1,4,7,10-tetraazacyclododec-1-yl) acetic acid (68Ga-BPAMD), was estimated based on the rats data. Materials and Methods: 68Ga was obtained from the 68Ge/68Ga generator and it's radionuclidic and radiochemical purities were investigate...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:
  • The Journal of chemical physics

دوره 125 18  شماره 

صفحات  -

تاریخ انتشار 2006