Document Detail

Vibrational Spectra of Linear Oligomers of Carbonic Acid: A Quantum Chemical Study.
MedLine Citation:
PMID:  22239118     Owner:  NLM     Status:  Publisher    
Gas phase quantum chemical calculations of linear, hydrogen bonded oligomers of carbonic acid have been carried out to examine the feasibility of such species to be the building blocks of crystalline carbonic acid. Infrared and Raman vibrational spectra have been calculated and are compared against experimentally known spectra for two polymorphs of carbonic acid. The calculated anharmonic frequencies of the linear oligomer agree well with the experimental data for the centrosymmetric β-carbonic acid, rather than with that for the α polymorph. These calculations strongly suggest that β-carbonic acid should consist of one dimensional hydrogen bonded carbonic acid molecules in the anti-anti conformation.
Sandeep K Reddy; Chidambar H Kulkarni; Balasubramanian Sundaram
Related Documents :
8798338 - The effect of smectite composition on the catalysis of peptide bond formation.
11348128 - A convenient preparation of 3,3,3-trifluoro-1-propynylamines and their lewis acid catal...
18646828 - Design of a coumarin-based triketone as a fluorescent protecting group for primary amines.
17137388 - An efficient base-free n-arylation of imidazoles and amines with arylboronic acids usin...
7337948 - Amniotic fluid prolactin and fetal lung maturity.
17002438 - Characterization of the chemical composition of lotus plumule oil.
Publication Detail:
Type:  JOURNAL ARTICLE     Date:  2012-1-12
Journal Detail:
Title:  The journal of physical chemistry. A     Volume:  -     ISSN:  1520-5215     ISO Abbreviation:  -     Publication Date:  2012 Jan 
Date Detail:
Created Date:  2012-1-13     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  9890903     Medline TA:  J Phys Chem A     Country:  -    
Other Details:
Languages:  ENG     Pagination:  -     Citation Subset:  -    
Export Citation:
APA/MLA Format     Download EndNote     Download BibTex
MeSH Terms

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine

Previous Document:  Rational Design of Single-Composition ABC Collagen Heterotrimers.
Next Document:  Oligovalent amyloid-binding agents reduce SEVI-mediated enhancement of HIV-1 infection.