High-resolution infrared studies of laser ablation products from carbon-selenium targets have revealed a new vibrational band at 2057 cm⁻¹ that is identified as the ${\nu }_3$ vibrational fundamental of the SeC₃Se cluster. Because of the rich isotopic composition of selenium and the heavy nuclear masses involved, the vibrational band shows a relatively compact and complex structure despite the simple linear geometric arrangement. Overall, rotational-vibrational lines of six isotopologues could be assigned and fitted permitting the derivation of an accurate selenium-carbon bond length.

Spectroscopic analysis has been greatly supported by high-level quantum-chemical calculations of the molecular structure and the harmonic and anharmonic force fields performed at the CCSD(T) level of theory. Scalar-relativistic effects on the molecular structure were also considered but found of little importance.

对碳-硒靶材激光烧蚀产品的高分辨率红外研究表明，在2057 cm ^-1处有一个新的振动带，该振动带被确定为${\nu }_3$SeC ₃ Se团簇的振动基础。由于硒的同位素组成丰富且涉及大量核物质，因此，尽管具有简单的线性几何排列，但振动带仍显示出相对紧凑和复杂的结构。总体而言，可以分配和拟合六个同位素的旋转振动线，从而可以得出准确的硒碳键长度。

在CCSD（T）理论水平上进行的分子结构以及谐波和非谐力场的高级量子化学计算，极大地支持了光谱分析。标量相对论对分子结构的影响也曾被考虑过，但重要性不大。