Electronic spectra of linear HC5H and cumulene carbene H2C5

The 1(3)Σu (-)←X(3)Σg (-) transition of linear HC5H (A) has been observed in a neon matrix and gas phase. The assignment is based on mass-selective experiments, extrapolation of previous results of the longer HC2n+1H homologues, and density functional and multi-state CASPT2 theoretical methods. Anot...

Full description

Saved in:
Bibliographic Details
Published in:The Journal of chemical physics 2015-06, Vol.142 (24), p.244311-244311
Main Authors: Steglich, Mathias, Fulara, Jan, Maity, Surajit, Nagy, Adam, Maier, John P
Format: Article
Language:English
Subjects:
Electronic spectra
Homology
Mathematical analysis
Matrix methods
Neon
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:The 1(3)Σu (-)←X(3)Σg (-) transition of linear HC5H (A) has been observed in a neon matrix and gas phase. The assignment is based on mass-selective experiments, extrapolation of previous results of the longer HC2n+1H homologues, and density functional and multi-state CASPT2 theoretical methods. Another band system starting at 303 nm in neon is assigned as the 1(1)A1←X˜(1)A1 transition of the cumulene carbene pentatetraenylidene H2C5 (B).
ISSN:0021-9606
1089-7690
DOI:10.1063/1.4922920