Rotational analysis of the O−O band of the first singletπ ^*-n system ofcis glyoxal-d₁

Abstract

A rotational analysis of the O−O band of the first singlet (π ^*-n) system ofcis glyoxal-d₁ has been carried out and the following principal constants obtained:A′=0.8085(1),B′=0.19515(4),C′=0.15713(6),A″=0.7958(1),B″=0.20279(4),C″=0.16197(6),ν ₀₀ = 20517.99 cm⁻¹.

These data have been combined with the rotational constants ofCurrie andRamsay [1] forcis glyoxal and the following molecular parameters derived: excited state −r(CH)=1.120±0.010 Å (assumed), r(CO)=1.250±0.015 Å, r(CC)=1.44±0.03 Å, ∠HCC=113.5±1.5°, ∠OCC=127.1±0.8° ground state −r(CH)=1.115±0.010 Å and r(CO)=1.210±0.005 Å assumed, r(CC)=1.505±0.015 Å, ∠HCC=115.5±1.5°, ∠OCC=123.8±0.4°.