. 2022 Sep 16;144(38):17376–17386. doi: 10.1021/jacs.2c01469

Table 2. Observed Bands of Fe(CO)₅ (cm^–1) and Their Assignments^a.

liquid at RT			phase I			phase II		assign
infrared	infrared CCl₄ sol’n	FT-Raman	infrared (197 K)	Raman (120 K)	INS (120 K)	Raman (20 K)	INS (10 K)
		2114		2116 m		2117 m		ν₁
		2028		2021 vs		2021 vs		ν₂
	2020							ν₆
	1989	1985		1997 m		1997 m		ν₁₀
				1969 s		1967 s		ν₁₀
				1947 vw		1946 vw
						756 vw	752 vw	2 × ν₅
						753 vw		2 × ν₅
			656 vw		647 w,br	657 vw	655 w	ν₇
630	639						637 w	ν₇
605	613		602 vs		612 m		613 m	ν₁₁
557	557	557	556 w	559 w	556 s	559 w	556 s	ν₁₂
		488		493 w	490 sh	496 w	492 sh
				487 sh		489 w
474	476		473 m		476 s		478 s	ν₁₃
		443		447 w	447 s	447 w	447 s	ν₃ and ν₁₆
425	431	416	430 m	422 vs	418 s	423 vs	419 s	ν₄
378			376 vw		375 s	378 vw	375 vs	ν₅ and ν₁₇
				128 m	132 sh	130 m	129 m	ν₁₈
							122 m	ν₁₈
				116 s		115 m	114 m	ν₁₄
108		106		110 sh	110 s, br	110 sh	107 m	ν₁₄
							89w
		78		78 m	78 m	81 m	84 m	ν₁₅
72				71 m		74 m	72 m,br	ν₉
				61 sh	66 w	62 w	59 sh	lattice mode
							54 w	lattice mode
					41 vs,br		45 m,br	lattice mode

s = strong, m = medium, w = weak, v = very, br = broad, sh = shoulder.

Table 2. Observed Bands of Fe(CO)5 (cm–1) and Their Assignmentsa.