TY - JOUR
T1 - Through-bond interaction in the radical cation of N,N-dimethylpiperazine
T2 - Resonance Raman spectroscopy and quantum chemical calculations
AU - Brouwer, A.M.
AU - Langkilde, F.W.
AU - Bajdor, K.
AU - Wilbrandt, R.
PY - 1994
Y1 - 1994
N2 - The radical cation of N,N-dimethylpiperazine is investigated by resonance Raman spectroscopy and ab initio calculations. The calculations strongly support the assignment of the vibrational spectrum to a chair conformation. It is shown that a dramatic geometry relaxation following ionization allows a much more efficient interaction between the nitrogen 'lone pairs' than in the neutral ground state.
AB - The radical cation of N,N-dimethylpiperazine is investigated by resonance Raman spectroscopy and ab initio calculations. The calculations strongly support the assignment of the vibrational spectrum to a chair conformation. It is shown that a dramatic geometry relaxation following ionization allows a much more efficient interaction between the nitrogen 'lone pairs' than in the neutral ground state.
KW - Miljøaspekter ved energi- og industriproduktion
U2 - 10.1016/0009-2614(94)87099-3
DO - 10.1016/0009-2614(94)87099-3
M3 - Journal article
SN - 0009-2614
VL - 225
SP - 386
EP - 390
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 4-6
ER -