Millimeterwave Spectral Studies of Propynal (HCCCHO) Produced by DC Glow Discharge and <i>Ab Initio</i> DFT Calculation

<table>Observed trace of the <svg height="15.25" id="M87" style="vertical-align:-3.27605pt" version="1.1" viewbox="0 0 54.212502 15.25" width="54.212502" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink">
<g transform="matrix(.017,-0,0,-.017,.062,11.112)"><path d="M764 650l-7 -26q-61 -10 -91.5 -22.5t-76.5 -48.5l-235 -184q104 -152 208 -276q31 -37 54.5 -48.5t68.5 -16.5l-7 -28h-156q-138 170 -213 284q-19 29 -33.5 35t-33.5 -7l-29 -173q-15 -75 -5.5 -90.5t74.5 -20.5l-5 -28h-260l7 28q58 5 74 21.5t30 89.5l70 378
q12 68 2 83t-72 22l6 28h257l-7 -28q-62 -7 -76 -21.5t-27 -83.5l-32 -172q29 11 78 46q112 84 217 179q18 16 23.5 25.5t-1 14.5t-26.5 8l-30 4l5 28h249z" id="x1D43E"></path></g>
<g transform="matrix(.012,-0,0,-.012,13.25,15.187)"><path d="M535 230h-483v50h483v-50z" id="x2212"></path></g><g transform="matrix(.012,-0,0,-.012,20.235,15.187)"><path d="M384 0h-275v27q67 5 81.5 18.5t14.5 68.5v385q0 38 -7.5 47.5t-40.5 10.5l-48 2v24q85 15 178 52v-521q0 -55 14.5 -68.5t82.5 -18.5v-27z" id="x31"></path></g>
<g transform="matrix(.017,-0,0,-.017,31.3,11.112)"><path d="M535 323h-483v50h483v-50zM535 138h-483v50h483v-50z" id="x3D"></path></g><g transform="matrix(.017,-0,0,-.017,45.987,11.112)"><path d="M285 378v-2q65 -13 102 -54.5t37 -97.5q0 -57 -30.5 -104.5t-74 -75t-85.5 -42t-72 -14.5q-31 0 -59.5 11t-40.5 23q-19 18 -16 36q1 16 23 33q13 10 24 0q58 -51 124 -51q55 0 88 40t33 112q0 64 -39 96.5t-88 32.5q-29 0 -64 -11l-6 29q77 25 118 57.5t41 84.5
q0 45 -26.5 69.5t-68.5 24.5q-67 0 -120 -79l-20 20l43 63q51 56 127 56h1q66 0 107 -37t41 -95q0 -42 -31 -71q-22 -23 -68 -54z" id="x33"></path></g>
</svg> doublet of <svg height="13.6375" id="M88" style="vertical-align:-1.97925pt" version="1.1" viewbox="0 0 69.300003 13.6375" width="69.300003" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink">
<g transform="matrix(.017,-0,0,-.017,.062,11.113)"><path d="M434 650l-5 -28q-60 -8 -75 -20.5t-25 -69.5l-71 -395q-20 -107 -57.5 -168t-106.5 -94q-40 -18 -61 -20l-10 32q77 23 113 108q21 50 41 160l68 377q10 57 -1.5 69.5t-76.5 20.5l6 28h261z" id="x1D43D"></path></g><g transform="matrix(.017,-0,0,-.017,12.54,11.113)"><path d="M535 323h-483v50h483v-50zM535 138h-483v50h483v-50z" id="x3D"></path></g><g transform="matrix(.017,-0,0,-.017,27.244,11.113)"><path d="M244 635q90 0 143 -72t53 -177q0 -133 -65 -229.5t-171 -139.5q-79 -32 -140 -32l-5 30q109 18 185 91t101 186l-68 -36q-29 -16 -60 -16q-79 0 -129 51.5t-50 130.5q0 80 57 146.5t149 66.5zM228 602q-52 0 -78 -45.5t-26 -98.5q0 -69 36.5 -115.5t97.5 -46.5
q53 0 90 28q4 31 4 66q0 51 -9.5 95.5t-39 80.5t-75.5 36z" id="x39"></path></g><g transform="matrix(.017,-0,0,-.017,40.129,11.113)"><path d="M885 230h-727l102 -147l-22 -15q-114 125 -185 187q71 62 185 187l22 -15l-102 -147h727v-50z" id="x2190"></path></g><g transform="matrix(.017,-0,0,-.017,61.071,11.113)"><path d="M249 635q70 0 116 -43t46 -105q0 -46 -28 -80q-22 -25 -80 -64q62 -35 97 -75t35 -99q0 -81 -63 -131t-135 -50q-83 0 -137.5 45.5t-54.5 123.5q0 52 45 95q29 28 89 64q-109 62 -109 155q0 66 50.5 115t128.5 49zM238 603q-42 0 -67.5 -31t-25.5 -72q0 -50 32.5 -79.5
t98.5 -62.5q61 48 61 124q0 59 -29.5 90t-69.5 31zM248 20q46 0 76.5 33.5t30.5 89.5q0 50 -39 85.5t-110 71.5q-81 -54 -81 -137q0 -67 35.5 -105t87.5 -38z" id="x38"></path></g>
</svg> transition of propynal produced by DC discharge.</table>

Journal of Atomic and Molecular Physics

fig3

Figure 3

Figure 3: Millimeterwave Spectral Studies of Propynal (HCCCHO) Produced by DC Glow Discharge and <i>Ab Initio</i> DFT Calculation 

Journal of Atomic and Molecular Physics

Millimeterwave Spectral Studies of Propynal (HCCCHO) Produced by DC Glow Discharge and Ab Initio DFT Calculation

Figure 3